1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol

C23H38O4 — CID 163195719

IUPAC1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol
SMILESCOC1OC(OC)C2CC(C(C)CCC=C(C)C)C(O)CC(C)=CCC=C12
InChIInChI=1S/C23H38O4/c1-15(2)9-7-11-17(4)19-14-20-18(22(25-5)27-23(20)26-6)12-8-10-16(3)13-21(19)24/h9-10,12,17,19-24H,7-8,11,13-14H2,1-6H3
InChIKeyCAZXVJBBZOEUTO-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.99
Rot. Bonds6

About 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol

1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol (PubChem CID 163195719) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol.

Molecular Properties

Compound Name1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol
PubChem CID163195719
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol
SMILESCOC1OC(OC)C2CC(C(C)CCC=C(C)C)C(O)CC(C)=CCC=C12
InChIInChI=1S/C23H38O4/c1-15(2)9-7-11-17(4)19-14-20-18(22(25-5)27-23(20)26-6)12-8-10-16(3)13-21(19)24/h9-10,12,17,19-24H,7-8,11,13-14H2,1-6H3
InChIKeyCAZXVJBBZOEUTO-UHFFFAOYSA-N
XLogP4.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol?
The IUPAC name of 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol (CID 163195719) is 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol.
What is the SMILES notation for 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol?
The canonical SMILES for 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol is COC1OC(OC)C2CC(C(C)CCC=C(C)C)C(O)CC(C)=CCC=C12.
What is the InChIKey of 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol?
The InChIKey is CAZXVJBBZOEUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4/c1-15(2)9-7-11-17(4)19-14-20-18(22(25-5)27-23(20)26-6)12-8-10-16(3)13-21(19)24/h9-10,12,17,19-24H,7-8,11,13-14H2,1-6H3.
What are the key properties of 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol?
1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol has a molecular weight of 378.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,3,5,8,9,10,11,11a-octahydrocyclodeca[c]furan-9-ol is sourced from PubChem (CID 163195719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).