(1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol

C15H24O — CID 91751296

IUPAC(1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC1=C[C@H]2C(=C(C)C)C[C@@H](O)[C@H](C)[C@H]2CC1
InChIInChI=1S/C15H24O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7,11-12,14-16H,5-6,8H2,1-4H3/t11-,12-,14-,15-/m1/s1
InChIKeyVYRPEQZTLXTRND-QHSBEEBCSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds

About (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol

(1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 91751296) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID91751296
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC1=C[C@H]2C(=C(C)C)C[C@@H](O)[C@H](C)[C@H]2CC1
InChIInChI=1S/C15H24O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7,11-12,14-16H,5-6,8H2,1-4H3/t11-,12-,14-,15-/m1/s1
InChIKeyVYRPEQZTLXTRND-QHSBEEBCSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
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 (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol (CID 91751296) is (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol is CC1=C[C@H]2C(=C(C)C)C[C@@H](O)[C@H](C)[C@H]2CC1.
What is the InChIKey of (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is VYRPEQZTLXTRND-QHSBEEBCSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7,11-12,14-16H,5-6,8H2,1-4H3/t11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol?
(1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4aS,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 91751296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).