methanol;methylcyclopentane;prop-1-en-2-ol

C10H22O2 — CID 142006144

IUPACmethanol;methylcyclopentane;prop-1-en-2-ol
SMILESC=C(C)O.CC1CCCC1.CO
InChIInChI=1S/C6H12.C3H6O.CH4O/c1-6-4-2-3-5-6;1-3(2)4;1-2/h6H,2-5H2,1H3;4H,1H2,2H3;2H,1H3
InChIKeyALLSQYZIYPFNCB-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.88
Rot. Bonds

About methanol;methylcyclopentane;prop-1-en-2-ol

methanol;methylcyclopentane;prop-1-en-2-ol (PubChem CID 142006144) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is methanol;methylcyclopentane;prop-1-en-2-ol.

Molecular Properties

Compound Namemethanol;methylcyclopentane;prop-1-en-2-ol
PubChem CID142006144
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Namemethanol;methylcyclopentane;prop-1-en-2-ol
SMILESC=C(C)O.CC1CCCC1.CO
InChIInChI=1S/C6H12.C3H6O.CH4O/c1-6-4-2-3-5-6;1-3(2)4;1-2/h6H,2-5H2,1H3;4H,1H2,2H3;2H,1H3
InChIKeyALLSQYZIYPFNCB-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methylcyclopentane
CID 7296
methylcyclopentane;propane-2-thione
CID 143471637
methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
CID 143541445
erbium;tris(methylcyclopentane)
CID 91996115
cyclohexane;methylcyclopentane
CID 20788572
CID 158187464
CID 158187464
1,6-dimethylcycloundecane
CID 91298161
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
methylcyclobutane;2-methylprop-2-enoic acid
CID 68582164
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methane;methylcyclohexane
CID 143705611
gallane;methylcyclohexane
CID 174461507

Frequently Asked Questions

What is the IUPAC name of methanol;methylcyclopentane;prop-1-en-2-ol?
The IUPAC name of methanol;methylcyclopentane;prop-1-en-2-ol (CID 142006144) is methanol;methylcyclopentane;prop-1-en-2-ol.
What is the SMILES notation for methanol;methylcyclopentane;prop-1-en-2-ol?
The canonical SMILES for methanol;methylcyclopentane;prop-1-en-2-ol is C=C(C)O.CC1CCCC1.CO.
What is the InChIKey of methanol;methylcyclopentane;prop-1-en-2-ol?
The InChIKey is ALLSQYZIYPFNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H6O.CH4O/c1-6-4-2-3-5-6;1-3(2)4;1-2/h6H,2-5H2,1H3;4H,1H2,2H3;2H,1H3.
What are the key properties of methanol;methylcyclopentane;prop-1-en-2-ol?
methanol;methylcyclopentane;prop-1-en-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methylcyclopentane;prop-1-en-2-ol is sourced from PubChem (CID 142006144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).