(1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol

C15H26O — CID 13213650

IUPAC(1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol
SMILESCC(C)=CCCC(C)[C@@H]1C=C[C@](C)(O)CC1
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3/t13?,14-,15+/m1/s1
InChIKeyVVCHIOKYQRUBED-DMJDIKPUSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol

(1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol (PubChem CID 13213650) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol
PubChem CID13213650
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol
SMILESCC(C)=CCCC(C)[C@@H]1C=C[C@](C)(O)CC1
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3/t13?,14-,15+/m1/s1
InChIKeyVVCHIOKYQRUBED-DMJDIKPUSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
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,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol (CID 13213650) is (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol is CC(C)=CCCC(C)[C@@H]1C=C[C@](C)(O)CC1.
What is the InChIKey of (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol?
The InChIKey is VVCHIOKYQRUBED-DMJDIKPUSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3/t13?,14-,15+/m1/s1.
What are the key properties of (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol?
(1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 13213650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).