methanol;3-methylcyclohexene;propan-2-ol

C11H24O2 — CID 142978987

IUPACmethanol;3-methylcyclohexene;propan-2-ol
SMILESCC(C)O.CC1C=CCCC1.CO
InChIInChI=1S/C7H12.C3H8O.CH4O/c1-7-5-3-2-4-6-7;1-3(2)4;1-2/h3,5,7H,2,4,6H2,1H3;3-4H,1-2H3;2H,1H3
InChIKeyFYJKFTAFWAUBTO-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.36
Rot. Bonds

About methanol;3-methylcyclohexene;propan-2-ol

methanol;3-methylcyclohexene;propan-2-ol (PubChem CID 142978987) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is methanol;3-methylcyclohexene;propan-2-ol.

Molecular Properties

Compound Namemethanol;3-methylcyclohexene;propan-2-ol
PubChem CID142978987
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namemethanol;3-methylcyclohexene;propan-2-ol
SMILESCC(C)O.CC1C=CCCC1.CO
InChIInChI=1S/C7H12.C3H8O.CH4O/c1-7-5-3-2-4-6-7;1-3(2)4;1-2/h3,5,7H,2,4,6H2,1H3;3-4H,1-2H3;2H,1H3
InChIKeyFYJKFTAFWAUBTO-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylcyclohexene
CID 145337562
(1Z)-3-methylcyclopentadecene
CID 140520640
(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclodecene
CID 6430931
(3R)-3-methylcyclohexene;pyrrolidine
CID 143477077
(3S)-3-methylcyclopentene
CID 11018803
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
3-methylcyclopentadec-1-en-8-yne
CID 123715126
1-cyclohex-2-en-1-yloxyethanol
CID 143838832
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665

Frequently Asked Questions

What is the IUPAC name of methanol;3-methylcyclohexene;propan-2-ol?
The IUPAC name of methanol;3-methylcyclohexene;propan-2-ol (CID 142978987) is methanol;3-methylcyclohexene;propan-2-ol.
What is the SMILES notation for methanol;3-methylcyclohexene;propan-2-ol?
The canonical SMILES for methanol;3-methylcyclohexene;propan-2-ol is CC(C)O.CC1C=CCCC1.CO.
What is the InChIKey of methanol;3-methylcyclohexene;propan-2-ol?
The InChIKey is FYJKFTAFWAUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C3H8O.CH4O/c1-7-5-3-2-4-6-7;1-3(2)4;1-2/h3,5,7H,2,4,6H2,1H3;3-4H,1-2H3;2H,1H3.
What are the key properties of methanol;3-methylcyclohexene;propan-2-ol?
methanol;3-methylcyclohexene;propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methylcyclohexene;propan-2-ol is sourced from PubChem (CID 142978987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).