3-cyclohex-2-en-1-yl-2-methylpropan-1-ol

C10H18O — CID 14289084

IUPAC3-cyclohex-2-en-1-yl-2-methylpropan-1-ol
SMILESCC(CO)CC1C=CCCC1
InChIInChI=1S/C10H18O/c1-9(8-11)7-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyNNTXDYVXYJZGRI-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds3

About 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol

3-cyclohex-2-en-1-yl-2-methylpropan-1-ol (PubChem CID 14289084) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-2-methylpropan-1-ol
PubChem CID14289084
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-cyclohex-2-en-1-yl-2-methylpropan-1-ol
SMILESCC(CO)CC1C=CCCC1
InChIInChI=1S/C10H18O/c1-9(8-11)7-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyNNTXDYVXYJZGRI-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Menthadienol
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CID 5283295
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CID 439223
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CID 1712010
Isocyclogeraniol
CID 109458

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol?
The IUPAC name of 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol (CID 14289084) is 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol?
The canonical SMILES for 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol is CC(CO)CC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol?
The InChIKey is NNTXDYVXYJZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(8-11)7-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol?
3-cyclohex-2-en-1-yl-2-methylpropan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-2-methylpropan-1-ol is sourced from PubChem (CID 14289084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).