2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol

C14H24O — CID 141352252

IUPAC2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
SMILESC=C(C)C1CC=C(CCC(C)(C)O)CC1
InChIInChI=1S/C14H24O/c1-11(2)13-7-5-12(6-8-13)9-10-14(3,4)15/h5,13,15H,1,6-10H2,2-4H3
InChIKeyOUPHEPLHNKPQSN-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds4

About 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol

2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol (PubChem CID 141352252) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
PubChem CID141352252
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
SMILESC=C(C)C1CC=C(CCC(C)(C)O)CC1
InChIInChI=1S/C14H24O/c1-11(2)13-7-5-12(6-8-13)9-10-14(3,4)15/h5,13,15H,1,6-10H2,2-4H3
InChIKeyOUPHEPLHNKPQSN-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
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

3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
CID 15222644
3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
CID 10583976
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
CID 71343459
(4-prop-1-en-2-ylcyclohexen-1-yl)methanesulfonic acid
CID 118596934
2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate
CID 102248268
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2-methylpropanoate
CID 101320060
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl nitrite
CID 162522511
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate
CID 134301847
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782854
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine-1,4-diium
CID 6942999
1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782801
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol (CID 141352252) is 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol is C=C(C)C1CC=C(CCC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol?
The InChIKey is OUPHEPLHNKPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)13-7-5-12(6-8-13)9-10-14(3,4)15/h5,13,15H,1,6-10H2,2-4H3.
What are the key properties of 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol?
2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol is sourced from PubChem (CID 141352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).