[4-(3-methylbut-2-enoxy)cyclohexyl]methanol

C12H22O2 — CID 106825560

IUPAC[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
SMILESCC(C)=CCOC1CCC(CO)CC1
InChIInChI=1S/C12H22O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h7,11-13H,3-6,8-9H2,1-2H3
InChIKeyYNULZMXRYJUGKE-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.52
Rot. Bonds4

About [4-(3-methylbut-2-enoxy)cyclohexyl]methanol

[4-(3-methylbut-2-enoxy)cyclohexyl]methanol (PubChem CID 106825560) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [4-(3-methylbut-2-enoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
PubChem CID106825560
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
SMILESCC(C)=CCOC1CCC(CO)CC1
InChIInChI=1S/C12H22O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h7,11-13H,3-6,8-9H2,1-2H3
InChIKeyYNULZMXRYJUGKE-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(3-methylbut-2-enoxy)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
CID 53646765
2-[(3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
CID 53646766
[4-(Hydroxymethyl)cyclohexyl] 2-methylbut-2-enoate
CID 57315297
2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
CID 59054889
2-[(1S,3R)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
CID 59054913
3-Prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol
CID 67235847
(4-Prop-1-en-2-yloxycyclohexyl)methanol
CID 67821111
[4-(hydroxymethyl)cyclohexyl] (E)-2-methylbut-2-enoate
CID 87175272
[3-(But-2-enoxymethyl)cyclohexyl]methanol
CID 141356906
3-[(E)-but-2-enoxy]-4-methylcyclohexan-1-ol
CID 141946084
1-(4-Prop-2-enoxycyclohexyl)ethanol
CID 174378601
[4-(3-Chloro-2-methylprop-2-enoxy)cyclohexyl]methanol
CID 106439008

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbut-2-enoxy)cyclohexyl]methanol?
The IUPAC name of [4-(3-methylbut-2-enoxy)cyclohexyl]methanol (CID 106825560) is [4-(3-methylbut-2-enoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(3-methylbut-2-enoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(3-methylbut-2-enoxy)cyclohexyl]methanol is CC(C)=CCOC1CCC(CO)CC1.
What is the InChIKey of [4-(3-methylbut-2-enoxy)cyclohexyl]methanol?
The InChIKey is YNULZMXRYJUGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h7,11-13H,3-6,8-9H2,1-2H3.
What are the key properties of [4-(3-methylbut-2-enoxy)cyclohexyl]methanol?
[4-(3-methylbut-2-enoxy)cyclohexyl]methanol has a molecular weight of 198.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbut-2-enoxy)cyclohexyl]methanol is sourced from PubChem (CID 106825560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).