hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene

C16H30O — CID 18454862

IUPAChexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)CC1.CCCCCCO
InChIInChI=1S/C10H16.C6H14O/c1-8(2)10-6-4-9(3)5-7-10;1-2-3-4-5-6-7/h4,10H,1,5-7H2,2-3H3;7H,2-6H2,1H3
InChIKeyUDMVTTHGICAPKH-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.87
Rot. Bonds5

About hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene

hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 18454862) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Namehexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID18454862
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Namehexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)CC1.CCCCCCO
InChIInChI=1S/C10H16.C6H14O/c1-8(2)10-6-4-9(3)5-7-10;1-2-3-4-5-6-7/h4,10H,1,5-7H2,2-3H3;7H,2-6H2,1H3
InChIKeyUDMVTTHGICAPKH-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene (CID 18454862) is hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C)CC1.CCCCCCO.
What is the InChIKey of hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is UDMVTTHGICAPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C6H14O/c1-8(2)10-6-4-9(3)5-7-10;1-2-3-4-5-6-7/h4,10H,1,5-7H2,2-3H3;7H,2-6H2,1H3.
What are the key properties of hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene?
hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 238.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 18454862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).