(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol

C15H26O — CID 6428377

IUPAC(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol
SMILESCC(C)=C1CC[C@@]2(O)CCC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H26O/c1-11(2)13-7-9-15(16)8-5-6-12(3)14(15,4)10-13/h12,16H,5-10H2,1-4H3/t12-,14+,15+/m1/s1
InChIKeyQOFQJEYLVMAUSE-SNPRPXQTSA-N
MW222.37 g/mol
LogP4.06
Rot. Bonds

About (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol

(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol (PubChem CID 6428377) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol
PubChem CID6428377
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol
SMILESCC(C)=C1CC[C@@]2(O)CCC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H26O/c1-11(2)13-7-9-15(16)8-5-6-12(3)14(15,4)10-13/h12,16H,5-10H2,1-4H3/t12-,14+,15+/m1/s1
InChIKeyQOFQJEYLVMAUSE-SNPRPXQTSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.06
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,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol?
The IUPAC name of (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol (CID 6428377) is (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol is CC(C)=C1CC[C@@]2(O)CCC[C@@H](C)[C@]2(C)C1.
What is the InChIKey of (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol?
The InChIKey is QOFQJEYLVMAUSE-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)13-7-9-15(16)8-5-6-12(3)14(15,4)10-13/h12,16H,5-10H2,1-4H3/t12-,14+,15+/m1/s1.
What are the key properties of (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol?
(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol has a molecular weight of 222.37 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 6428377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).