4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde

C28H46O5Si2 — CID 123498384

IUPAC4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde
SMILESC=O.C=[SiH]OC(C)C/C=C/C=C/C(O[SiH2]C)C(C)OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C
InChIInChI=1S/C27H44O4Si2.CH2O/c1-18(2)23-17-27(6)20(4)25(15-14-22(27)16-24(23)28)29-21(5)26(31-33-8)13-11-9-10-12-19(3)30-32-7;1-2/h9-11,13,16,19-21,23,25-26,32H,1,7,12,14-15,17,33H2,2-6,8H3;1H2/b10-9+,13-11+;
InChIKeyRYYUUMQKIBUYFF-XVGILUMNSA-N
MW518.84 g/mol
LogP4.31
Rot. Bonds12

About 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde

4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde (PubChem CID 123498384) has the molecular formula C28H46O5Si2 and a molecular weight of 518.84 g/mol. Its IUPAC name is 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde.

Molecular Properties

Compound Name4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde
PubChem CID123498384
Molecular FormulaC28H46O5Si2
Molecular Weight518.84 g/mol
Exact Mass518.29
IUPAC Name4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde
SMILESC=O.C=[SiH]OC(C)C/C=C/C=C/C(O[SiH2]C)C(C)OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C
InChIInChI=1S/C27H44O4Si2.CH2O/c1-18(2)23-17-27(6)20(4)25(15-14-22(27)16-24(23)28)29-21(5)26(31-33-8)13-11-9-10-12-19(3)30-32-7;1-2/h9-11,13,16,19-21,23,25-26,32H,1,7,12,14-15,17,33H2,2-6,8H3;1H2/b10-9+,13-11+;
InChIKeyRYYUUMQKIBUYFF-XVGILUMNSA-N
XLogP4.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.84
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
CID 6440434
[(1S,2R,7R,8aS)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate
CID 162985817
(1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl) (E)-3-methylsulfinylprop-2-enoate
CID 131751244
(4E,6E)-9-[(6-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)oxy]deca-4,6-diene-2,8-diol
CID 18709892
[(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] 3-methylsulfanylprop-2-enoate
CID 162992772
(6-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl) 3,9-dihydroxy-2-methyldeca-4,6-dienoate
CID 54234450
(3S,4aR,5S,7R)-7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 132520159
6,8-dihydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 14543473
4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate
CID 123722862
(3S,4aR,5S,7R,8S)-7,8-dihydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 155543118
2-(7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl)prop-2-enoic acid
CID 163036958
[(1S,2S,8aS)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (E,4S)-5-acetyloxy-4-methylpent-2-enoate
CID 162897987

Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde?
The IUPAC name of 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde (CID 123498384) is 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde.
What is the SMILES notation for 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde?
The canonical SMILES for 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde is C=O.C=[SiH]OC(C)C/C=C/C=C/C(O[SiH2]C)C(C)OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C.
What is the InChIKey of 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde?
The InChIKey is RYYUUMQKIBUYFF-XVGILUMNSA-N. The full InChI is InChI=1S/C27H44O4Si2.CH2O/c1-18(2)23-17-27(6)20(4)25(15-14-22(27)16-24(23)28)29-21(5)26(31-33-8)13-11-9-10-12-19(3)30-32-7;1-2/h9-11,13,16,19-21,23,25-26,32H,1,7,12,14-15,17,33H2,2-6,8H3;1H2/b10-9+,13-11+;.
What are the key properties of 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde?
4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde has a molecular weight of 518.84 g/mol, XLogP of 4.31, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-6-[(4E,6E)-9-methylidenesilyloxy-3-methylsilyloxydeca-4,6-dien-2-yl]oxy-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;formaldehyde is sourced from PubChem (CID 123498384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).