(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol

C24H30O — CID 177218836

IUPAC(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol
SMILESC=C1C2CC2c2cc(C3CCCCC3)cc(O)c2C2C=C(C)CC[C@@H]12
InChIInChI=1S/C24H30O/c1-14-8-9-18-15(2)19-13-20(19)22-11-17(16-6-4-3-5-7-16)12-23(25)24(22)21(18)10-14/h10-12,16,18-21,25H,2-9,13H2,1H3/t18-,19?,20?,21?/m0/s1
InChIKeyAXENEABOIHBSHF-PCMKAUBLSA-N
MW334.50 g/mol
LogP6.55
Rot. Bonds1

About (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol

(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol (PubChem CID 177218836) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol.

Molecular Properties

Compound Name(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol
PubChem CID177218836
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol
SMILESC=C1C2CC2c2cc(C3CCCCC3)cc(O)c2C2C=C(C)CC[C@@H]12
InChIInChI=1S/C24H30O/c1-14-8-9-18-15(2)19-13-20(19)22-11-17(16-6-4-3-5-7-16)12-23(25)24(22)21(18)10-14/h10-12,16,18-21,25H,2-9,13H2,1H3/t18-,19?,20?,21?/m0/s1
InChIKeyAXENEABOIHBSHF-PCMKAUBLSA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol?
The IUPAC name of (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol (CID 177218836) is (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol.
What is the SMILES notation for (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol?
The canonical SMILES for (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol is C=C1C2CC2c2cc(C3CCCCC3)cc(O)c2C2C=C(C)CC[C@@H]12.
What is the InChIKey of (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol?
The InChIKey is AXENEABOIHBSHF-PCMKAUBLSA-N. The full InChI is InChI=1S/C24H30O/c1-14-8-9-18-15(2)19-13-20(19)22-11-17(16-6-4-3-5-7-16)12-23(25)24(22)21(18)10-14/h10-12,16,18-21,25H,2-9,13H2,1H3/t18-,19?,20?,21?/m0/s1.
What are the key properties of (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol?
(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol has a molecular weight of 334.50 g/mol, XLogP of 6.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol is sourced from PubChem (CID 177218836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).