cyclohexen-1-ylmethanol;ethane;prop-1-yne

C12H22O — CID 142193644

IUPACcyclohexen-1-ylmethanol;ethane;prop-1-yne
SMILESC#CC.CC.OCC1=CCCCC1
InChIInChI=1S/C7H12O.C3H4.C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;1-2/h4,8H,1-3,5-6H2;1H,2H3;1-2H3
InChIKeySLDDQWHOZKAGGY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds1

About cyclohexen-1-ylmethanol;ethane;prop-1-yne

cyclohexen-1-ylmethanol;ethane;prop-1-yne (PubChem CID 142193644) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is cyclohexen-1-ylmethanol;ethane;prop-1-yne.

Molecular Properties

Compound Namecyclohexen-1-ylmethanol;ethane;prop-1-yne
PubChem CID142193644
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namecyclohexen-1-ylmethanol;ethane;prop-1-yne
SMILESC#CC.CC.OCC1=CCCCC1
InChIInChI=1S/C7H12O.C3H4.C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;1-2/h4,8H,1-3,5-6H2;1H,2H3;1-2H3
InChIKeySLDDQWHOZKAGGY-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene
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1-(cyclohexen-1-yl)hex-5-yn-2-ol
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1-(2-methylbuta-2,3-dienyl)cyclohexene
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ethane;1-(4-methylpent-3-enyl)cyclohexene
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2-(Cyclohex-1-en-1-yl)ethyl
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1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
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cyclohexen-1-ylmethyl(trimethyl)silane
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1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
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cyclododecen-1-ylmethanamine
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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethanol;ethane;prop-1-yne?
The IUPAC name of cyclohexen-1-ylmethanol;ethane;prop-1-yne (CID 142193644) is cyclohexen-1-ylmethanol;ethane;prop-1-yne.
What is the SMILES notation for cyclohexen-1-ylmethanol;ethane;prop-1-yne?
The canonical SMILES for cyclohexen-1-ylmethanol;ethane;prop-1-yne is C#CC.CC.OCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethanol;ethane;prop-1-yne?
The InChIKey is SLDDQWHOZKAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C3H4.C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;1-2/h4,8H,1-3,5-6H2;1H,2H3;1-2H3.
What are the key properties of cyclohexen-1-ylmethanol;ethane;prop-1-yne?
cyclohexen-1-ylmethanol;ethane;prop-1-yne has a molecular weight of 182.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethanol;ethane;prop-1-yne is sourced from PubChem (CID 142193644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).