2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol

C12H24O2 — CID 103036460

IUPAC2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol
SMILESCOC(C)(C)CCC1CCCCC1O
InChIInChI=1S/C12H24O2/c1-12(2,14-3)9-8-10-6-4-5-7-11(10)13/h10-11,13H,4-9H2,1-3H3
InChIKeyMIHGUXBRBJVQKN-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol

2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol (PubChem CID 103036460) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol
PubChem CID103036460
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol
SMILESCOC(C)(C)CCC1CCCCC1O
InChIInChI=1S/C12H24O2/c1-12(2,14-3)9-8-10-6-4-5-7-11(10)13/h10-11,13H,4-9H2,1-3H3
InChIKeyMIHGUXBRBJVQKN-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
(4-Methoxycyclohexyl)methanol
CID 18533153
4-(1-Hydroxyethyl)cyclohexan-1-ol
CID 22245678
2-(2-Ethyl-1-hydroxyhexyl)cyclohexanol
CID 246933
4-(2-Hydroxypropan-2-yl)cyclohexan-1-ol
CID 58439405
[4-(Propan-2-yloxy)cyclohexyl]methanol
CID 103942613
2-Hydroxy-alpha,alpha-dimethylcyclohexanemethanol
CID 547877
Cyclohexanepropanol, 2-hydroxy-
CID 566185
Cyclohexaneethanol, 3-hydroxy-beta,4-dimethyl-
CID 574846
rac-(1R,2S)-2-(oxan-4-yl)cyclohexan-1-ol
CID 147689783
2-Ethylcyclohexane-1,3-diol
CID 12812678
2-(1-Hydroxy-2-methylpropyl)cyclohexanol
CID 13681274

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol (CID 103036460) is 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol is COC(C)(C)CCC1CCCCC1O.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol?
The InChIKey is MIHGUXBRBJVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-12(2,14-3)9-8-10-6-4-5-7-11(10)13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol?
2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 103036460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).