(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol

C20H32O — CID 162905191

IUPAC(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol
SMILESC=C(CCC=C(C)C)[C@@H]1CC/C(C)=C\CCC(=C)[C@@H](O)C1
InChIInChI=1S/C20H32O/c1-15(2)8-6-10-17(4)19-13-12-16(3)9-7-11-18(5)20(21)14-19/h8-9,19-21H,4-7,10-14H2,1-3H3/b16-9-/t19-,20+/m1/s1
InChIKeyZQWAPPQJKIEPOV-VTYIMSSISA-N
MW288.47 g/mol
LogP5.73
Rot. Bonds4

About (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol

(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol (PubChem CID 162905191) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol.

Molecular Properties

Compound Name(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol
PubChem CID162905191
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol
SMILESC=C(CCC=C(C)C)[C@@H]1CC/C(C)=C\CCC(=C)[C@@H](O)C1
InChIInChI=1S/C20H32O/c1-15(2)8-6-10-17(4)19-13-12-16(3)9-7-11-18(5)20(21)14-19/h8-9,19-21H,4-7,10-14H2,1-3H3/b16-9-/t19-,20+/m1/s1
InChIKeyZQWAPPQJKIEPOV-VTYIMSSISA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5Z,9S)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 163074958
[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061
[(1S,4Z,8E,12S)-5,9-dimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-4,8-dien-1-yl]methanol
CID 162989808
(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 162887924
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol
CID 529890
(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
CID 158432615
(1R,5Z,9S)-9-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol
CID 162865550
1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene;1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene;(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
CID 157469263
(3R,4aR,8aR)-5,8a-dimethyl-3-(6-methylhepta-1,5-dien-2-yl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 71569019
4,8a-dimethyl-6-(6-methylhepta-1,5-dien-2-yl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 75220675
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 167683772
(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene
CID 162972560

Frequently Asked Questions

What is the IUPAC name of (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol?
The IUPAC name of (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol (CID 162905191) is (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol.
What is the SMILES notation for (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol?
The canonical SMILES for (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol is C=C(CCC=C(C)C)[C@@H]1CC/C(C)=C\CCC(=C)[C@@H](O)C1.
What is the InChIKey of (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol?
The InChIKey is ZQWAPPQJKIEPOV-VTYIMSSISA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)8-6-10-17(4)19-13-12-16(3)9-7-11-18(5)20(21)14-19/h8-9,19-21H,4-7,10-14H2,1-3H3/b16-9-/t19-,20+/m1/s1.
What are the key properties of (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol?
(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol has a molecular weight of 288.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol is sourced from PubChem (CID 162905191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).