(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one

C19H28O — CID 11334783

IUPAC(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one
SMILESCC1=C[C@@H]2CCC[C@]23C(=O)[C@@H](C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C19H28O/c1-11-8-13-6-5-7-19(13)12(2)10-15-16(18(15,3)4)14(9-11)17(19)20/h8,12-16H,5-7,9-10H2,1-4H3/t12-,13+,14+,15-,16+,19-/m1/s1
InChIKeyRHIDOKXJOCVGHM-DRVLGICASA-N
MW272.43 g/mol
LogP4.62
Rot. Bonds

About (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one

(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one (PubChem CID 11334783) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one.

Molecular Properties

Compound Name(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one
PubChem CID11334783
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one
SMILESCC1=C[C@@H]2CCC[C@]23C(=O)[C@@H](C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C19H28O/c1-11-8-13-6-5-7-19(13)12(2)10-15-16(18(15,3)4)14(9-11)17(19)20/h8,12-16H,5-7,9-10H2,1-4H3/t12-,13+,14+,15-,16+,19-/m1/s1
InChIKeyRHIDOKXJOCVGHM-DRVLGICASA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one with MolForge

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CID 10560692
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(1aS,4S,4aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,7b-hexahydro-1aH-cyclopropa[e]azulen-6-one
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Frequently Asked Questions

What is the IUPAC name of (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one?
The IUPAC name of (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one (CID 11334783) is (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one.
What is the SMILES notation for (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one?
The canonical SMILES for (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one is CC1=C[C@@H]2CCC[C@]23C(=O)[C@@H](C1)[C@H]1[C@@H](C[C@H]3C)C1(C)C.
What is the InChIKey of (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one?
The InChIKey is RHIDOKXJOCVGHM-DRVLGICASA-N. The full InChI is InChI=1S/C19H28O/c1-11-8-13-6-5-7-19(13)12(2)10-15-16(18(15,3)4)14(9-11)17(19)20/h8,12-16H,5-7,9-10H2,1-4H3/t12-,13+,14+,15-,16+,19-/m1/s1.
What are the key properties of (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one?
(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one has a molecular weight of 272.43 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one is sourced from PubChem (CID 11334783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).