(5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one

C23H34O2Si — CID 100935383

IUPAC(5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@@H]1C=CC(C)=C(O[Si](C)(C)C)[C@H]1[C@@H]1C(=O)C(C)=CC[C@H]1C(=C)C
InChIInChI=1S/C23H34O2Si/c1-14(2)18-12-10-16(5)22(24)20(18)21-19(15(3)4)13-11-17(6)23(21)25-26(7,8)9/h10-11,13,18-21H,1,3,12H2,2,4-9H3/t18-,19-,20+,21+/m0/s1
InChIKeyWXTRKENJBNZADN-UWHLTILDSA-N
MW370.61 g/mol
LogP6.22
Rot. Bonds5

About (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one

(5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 100935383) has the molecular formula C23H34O2Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID100935383
Molecular FormulaC23H34O2Si
Molecular Weight370.61 g/mol
Exact Mass370.23
IUPAC Name(5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@@H]1C=CC(C)=C(O[Si](C)(C)C)[C@H]1[C@@H]1C(=O)C(C)=CC[C@H]1C(=C)C
InChIInChI=1S/C23H34O2Si/c1-14(2)18-12-10-16(5)22(24)20(18)21-19(15(3)4)13-11-17(6)23(21)25-26(7,8)9/h10-11,13,18-21H,1,3,12H2,2,4-9H3/t18-,19-,20+,21+/m0/s1
InChIKeyWXTRKENJBNZADN-UWHLTILDSA-N
XLogP6.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 100935383) is (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@@H]1C=CC(C)=C(O[Si](C)(C)C)[C@H]1[C@@H]1C(=O)C(C)=CC[C@H]1C(=C)C.
What is the InChIKey of (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is WXTRKENJBNZADN-UWHLTILDSA-N. The full InChI is InChI=1S/C23H34O2Si/c1-14(2)18-12-10-16(5)22(24)20(18)21-19(15(3)4)13-11-17(6)23(21)25-26(7,8)9/h10-11,13,18-21H,1,3,12H2,2,4-9H3/t18-,19-,20+,21+/m0/s1.
What are the key properties of (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
(5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 370.61 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2-methyl-6-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohexa-2,4-dien-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 100935383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).