2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol

C15H26O2 — CID 131752167

IUPAC2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
SMILESCC(C)=CCCC(C)C1CC(O)C(C)=CC1O
InChIInChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
InChIKeyFPSDOHYYKFXKFR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol

2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol (PubChem CID 131752167) 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-2-ene-1,4-diol.

Molecular Properties

Compound Name2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
PubChem CID131752167
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
SMILESCC(C)=CCCC(C)C1CC(O)C(C)=CC1O
InChIInChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
InChIKeyFPSDOHYYKFXKFR-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-2-ene-1,4-diol?
The IUPAC name of 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol (CID 131752167) is 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol.
What is the SMILES notation for 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
The canonical SMILES for 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol is CC(C)=CCCC(C)C1CC(O)C(C)=CC1O.
What is the InChIKey of 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
The InChIKey is FPSDOHYYKFXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3.
What are the key properties of 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-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-2-ene-1,4-diol is sourced from PubChem (CID 131752167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).