2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol

C15H26O2 — CID 14633005

IUPAC2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
SMILESCC(C)=CCCC(C)C1C=CC(C)(O)C(O)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3
InChIKeyYRFJMOGROZTYPC-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol

2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol (PubChem CID 14633005) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
PubChem CID14633005
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
SMILESCC(C)=CCCC(C)C1C=CC(C)(O)C(O)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3
InChIKeyYRFJMOGROZTYPC-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
The IUPAC name of 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol (CID 14633005) is 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol.
What is the SMILES notation for 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
The canonical SMILES for 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol is CC(C)=CCCC(C)C1C=CC(C)(O)C(O)C1.
What is the InChIKey of 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
The InChIKey is YRFJMOGROZTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3.
What are the key properties of 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol is sourced from PubChem (CID 14633005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).