(2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol

C20H32O — CID 10017010

IUPAC(2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol
SMILESC=C1CC/C=C(\C)C[C@@H](O)C2=C(C)CC[C@@H](CC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-7-6-8-15(2)13-18(21)19-16(3)10-12-17(11-9-14)20(19,4)5/h8,17-18,21H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,18-/m1/s1
InChIKeyBVJVBWNCZZIHMV-ZGOKVMRMSA-N
MW288.48 g/mol
LogP5.57
Rot. Bonds

About (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol

(2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol (PubChem CID 10017010) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol.

Molecular Properties

Compound Name(2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol
PubChem CID10017010
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol
SMILESC=C1CC/C=C(\C)C[C@@H](O)C2=C(C)CC[C@@H](CC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-7-6-8-15(2)13-18(21)19-16(3)10-12-17(11-9-14)20(19,4)5/h8,17-18,21H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,18-/m1/s1
InChIKeyBVJVBWNCZZIHMV-ZGOKVMRMSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.57
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 (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol?
The IUPAC name of (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol (CID 10017010) is (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol.
What is the SMILES notation for (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol?
The canonical SMILES for (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol is C=C1CC/C=C(\C)C[C@@H](O)C2=C(C)CC[C@@H](CC1)C2(C)C.
What is the InChIKey of (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol?
The InChIKey is BVJVBWNCZZIHMV-ZGOKVMRMSA-N. The full InChI is InChI=1S/C20H32O/c1-14-7-6-8-15(2)13-18(21)19-16(3)10-12-17(11-9-14)20(19,4)5/h8,17-18,21H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,18-/m1/s1.
What are the key properties of (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol?
(2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol has a molecular weight of 288.48 g/mol, XLogP of 5.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,11R)-4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-ol is sourced from PubChem (CID 10017010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).