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

C14H24O2 — CID 14633009

IUPAC5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
SMILESCC(C)=CCCC(C)C1CC(O)C=CC1O
InChIInChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)13-9-12(15)7-8-14(13)16/h5,7-8,11-16H,4,6,9H2,1-3H3
InChIKeySUVNWYDXCRSEDC-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.67
Rot. Bonds4

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

5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol (PubChem CID 14633009) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
PubChem CID14633009
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
SMILESCC(C)=CCCC(C)C1CC(O)C=CC1O
InChIInChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)13-9-12(15)7-8-14(13)16/h5,7-8,11-16H,4,6,9H2,1-3H3
InChIKeySUVNWYDXCRSEDC-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.67
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 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
The IUPAC name of 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol (CID 14633009) is 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol.
What is the SMILES notation for 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
The canonical SMILES for 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol is CC(C)=CCCC(C)C1CC(O)C=CC1O.
What is the InChIKey of 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
The InChIKey is SUVNWYDXCRSEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)13-9-12(15)7-8-14(13)16/h5,7-8,11-16H,4,6,9H2,1-3H3.
What are the key properties of 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol?
5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol has a molecular weight of 224.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol is sourced from PubChem (CID 14633009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).