(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde

C30H36O6 — CID 159665762

IUPAC(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde
SMILESC=O.CCOc1cc2c(cc1CO)Cc1cc(C)c(OC)cc1Cc1cc(OCC)c(OC)cc1C2
InChIInChI=1S/C29H34O5.CH2O/c1-6-33-27-14-22-11-23-15-28(32-5)29(34-7-2)16-24(23)10-21-13-26(31-4)18(3)8-19(21)9-20(22)12-25(27)17-30;1-2/h8,12-16,30H,6-7,9-11,17H2,1-5H3;1H2
InChIKeyMTJMAWYLCPMLBK-UHFFFAOYSA-N
MW492.61 g/mol
LogP5.20
Rot. Bonds7

About (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde

(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde (PubChem CID 159665762) has the molecular formula C30H36O6 and a molecular weight of 492.61 g/mol. Its IUPAC name is (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde.

Molecular Properties

Compound Name(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde
PubChem CID159665762
Molecular FormulaC30H36O6
Molecular Weight492.61 g/mol
Exact Mass492.25
IUPAC Name(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde
SMILESC=O.CCOc1cc2c(cc1CO)Cc1cc(C)c(OC)cc1Cc1cc(OCC)c(OC)cc1C2
InChIInChI=1S/C29H34O5.CH2O/c1-6-33-27-14-22-11-23-15-28(32-5)29(34-7-2)16-24(23)10-21-13-26(31-4)18(3)8-19(21)9-20(22)12-25(27)17-30;1-2/h8,12-16,30H,6-7,9-11,17H2,1-5H3;1H2
InChIKeyMTJMAWYLCPMLBK-UHFFFAOYSA-N
XLogP5.20
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde with MolForge

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Related Compounds

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5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol
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ethyl 7-ethoxy-6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
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3-O-[2-[[12,19-bis[2-(3-ethoxy-3-oxopropanoyl)oxyethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl] 1-O-ethyl propanedioate
CID 100938271
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
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[4-[2-[2-ethyl-4,5-bis(hydroxymethyl)phenoxy]ethoxy]-2-(hydroxymethyl)-5-methoxyphenyl]methanol
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(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
(2-ethyl-4,5-dimethoxyphenyl)methanol
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(5-cyclopropyl-2-ethoxy-4-methylphenyl)methanol;ethane
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Frequently Asked Questions

What is the IUPAC name of (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde?
The IUPAC name of (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde (CID 159665762) is (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde.
What is the SMILES notation for (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde?
The canonical SMILES for (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde is C=O.CCOc1cc2c(cc1CO)Cc1cc(C)c(OC)cc1Cc1cc(OCC)c(OC)cc1C2.
What is the InChIKey of (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde?
The InChIKey is MTJMAWYLCPMLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O5.CH2O/c1-6-33-27-14-22-11-23-15-28(32-5)29(34-7-2)16-24(23)10-21-13-26(31-4)18(3)8-19(21)9-20(22)12-25(27)17-30;1-2/h8,12-16,30H,6-7,9-11,17H2,1-5H3;1H2.
What are the key properties of (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde?
(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde has a molecular weight of 492.61 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde is sourced from PubChem (CID 159665762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).