1-cyclohexyl-1-methoxy-4-methylpentan-2-ol

C13H26O2 — CID 116756323

IUPAC1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
SMILESCOC(C(O)CC(C)C)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h10-14H,4-9H2,1-3H3
InChIKeyAXXGVDNQOVRKHU-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds5

About 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol

1-cyclohexyl-1-methoxy-4-methylpentan-2-ol (PubChem CID 116756323) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
PubChem CID116756323
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
SMILESCOC(C(O)CC(C)C)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h10-14H,4-9H2,1-3H3
InChIKeyAXXGVDNQOVRKHU-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116756363
1-cyclohexyl-1-methoxynonan-2-ol
CID 14761900
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclohexyl-1-methoxynon-8-en-2-ol
CID 107008733
(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
CID 101013747
[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
CID 141338727
1-cyclohexyl-1-methoxy-5-phenylpentan-2-ol
CID 116756419
1-cyclopropyl-4-methylpentane-1,2-diol
CID 103456758
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427
1-methoxyethylcyclooctane
CID 58445596
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol (CID 116756323) is 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol is COC(C(O)CC(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol?
The InChIKey is AXXGVDNQOVRKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol?
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 116756323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).