(1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one

C20H30O — CID 155545803

IUPAC(1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one
SMILESC/C1=C/C[C@@H]2[C@H](C(C)C)CC(=O)[C@@]2(C)/C=C2/C(C)CCC12
InChIInChI=1S/C20H30O/c1-12(2)16-10-19(21)20(5)11-17-14(4)6-8-15(17)13(3)7-9-18(16)20/h7,11-12,14-16,18H,6,8-10H2,1-5H3/b13-7-,17-11-/t14?,15?,16-,18+,20-/m0/s1
InChIKeyRGKCEUJAXSZNIA-HBGGRVCGSA-N
MW286.46 g/mol
LogP5.18
Rot. Bonds1

About (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one

(1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one (PubChem CID 155545803) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one.

Molecular Properties

Compound Name(1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one
PubChem CID155545803
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one
SMILESC/C1=C/C[C@@H]2[C@H](C(C)C)CC(=O)[C@@]2(C)/C=C2/C(C)CCC12
InChIInChI=1S/C20H30O/c1-12(2)16-10-19(21)20(5)11-17-14(4)6-8-15(17)13(3)7-9-18(16)20/h7,11-12,14-16,18H,6,8-10H2,1-5H3/b13-7-,17-11-/t14?,15?,16-,18+,20-/m0/s1
InChIKeyRGKCEUJAXSZNIA-HBGGRVCGSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one with MolForge

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Related Compounds

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(1R,3aR,8aR)-1-[(1R)-1,5-dimethyl-3-oxo-hex-4-enyl]-3a,6-dimethyl-1,2,3,7,8,8a-hexahydroazulen-4-one
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Edunone
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Acorenone B
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Hypoestenone
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(1R,3S,6S,7R,9Z,11R)-3,10-dimethyl-14-methylidene-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-9-en-4-one
CID 155561752
(3S,7R,9Z,11S)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,9-triene-4,13-dione
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Frequently Asked Questions

What is the IUPAC name of (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one?
The IUPAC name of (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one (CID 155545803) is (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one.
What is the SMILES notation for (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one?
The canonical SMILES for (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one is C/C1=C/C[C@@H]2[C@H](C(C)C)CC(=O)[C@@]2(C)/C=C2/C(C)CCC12.
What is the InChIKey of (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one?
The InChIKey is RGKCEUJAXSZNIA-HBGGRVCGSA-N. The full InChI is InChI=1S/C20H30O/c1-12(2)16-10-19(21)20(5)11-17-14(4)6-8-15(17)13(3)7-9-18(16)20/h7,11-12,14-16,18H,6,8-10H2,1-5H3/b13-7-,17-11-/t14?,15?,16-,18+,20-/m0/s1.
What are the key properties of (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one?
(1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one has a molecular weight of 286.46 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3R,6S,7R,9Z)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,9-dien-4-one is sourced from PubChem (CID 155545803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).