(1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol

C20H32O2 — CID 163109988

IUPAC(1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol
SMILESC=C1CC[C@H]2[C@@H](/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@H]1O)C2(C)C
InChIInChI=1S/C20H32O2/c1-13-6-10-18(21)14(2)8-9-16-17(20(16,4)5)12-15(3)19(22)11-7-13/h7,12,16-19,21-22H,2,6,8-11H2,1,3-5H3/b13-7+,15-12+/t16-,17+,18+,19-/m0/s1
InChIKeyJDRQABPTFQOGAP-ZVRLQLKOSA-N
MW304.47 g/mol
LogP4.39
Rot. Bonds

About (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol

(1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol (PubChem CID 163109988) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol.

Molecular Properties

Compound Name(1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol
PubChem CID163109988
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol
SMILESC=C1CC[C@H]2[C@@H](/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@H]1O)C2(C)C
InChIInChI=1S/C20H32O2/c1-13-6-10-18(21)14(2)8-9-16-17(20(16,4)5)12-15(3)19(22)11-7-13/h7,12,16-19,21-22H,2,6,8-11H2,1,3-5H3/b13-7+,15-12+/t16-,17+,18+,19-/m0/s1
InChIKeyJDRQABPTFQOGAP-ZVRLQLKOSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol?
The IUPAC name of (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol (CID 163109988) is (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol.
What is the SMILES notation for (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol?
The canonical SMILES for (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol is C=C1CC[C@H]2[C@@H](/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@H]1O)C2(C)C.
What is the InChIKey of (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol?
The InChIKey is JDRQABPTFQOGAP-ZVRLQLKOSA-N. The full InChI is InChI=1S/C20H32O2/c1-13-6-10-18(21)14(2)8-9-16-17(20(16,4)5)12-15(3)19(22)11-7-13/h7,12,16-19,21-22H,2,6,8-11H2,1,3-5H3/b13-7+,15-12+/t16-,17+,18+,19-/m0/s1.
What are the key properties of (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol?
(1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol has a molecular weight of 304.47 g/mol, XLogP of 4.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,4S,6E,10R,14S)-3,7,15,15-tetramethyl-11-methylidenebicyclo[12.1.0]pentadeca-2,6-diene-4,10-diol is sourced from PubChem (CID 163109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).