(3-propan-2-yl-1-propoxycyclohexyl)methanol

C13H26O2 — CID 165490015

IUPAC(3-propan-2-yl-1-propoxycyclohexyl)methanol
SMILESCCCOC1(CO)CCCC(C(C)C)C1
InChIInChI=1S/C13H26O2/c1-4-8-15-13(10-14)7-5-6-12(9-13)11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyXUEXWCKJFOCFFC-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds5

About (3-propan-2-yl-1-propoxycyclohexyl)methanol

(3-propan-2-yl-1-propoxycyclohexyl)methanol (PubChem CID 165490015) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (3-propan-2-yl-1-propoxycyclohexyl)methanol.

Molecular Properties

Compound Name(3-propan-2-yl-1-propoxycyclohexyl)methanol
PubChem CID165490015
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(3-propan-2-yl-1-propoxycyclohexyl)methanol
SMILESCCCOC1(CO)CCCC(C(C)C)C1
InChIInChI=1S/C13H26O2/c1-4-8-15-13(10-14)7-5-6-12(9-13)11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyXUEXWCKJFOCFFC-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

N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine
CID 165490215
(1-propoxycyclobutyl)methanol
CID 151153124
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-(cyclopentylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450338
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
CID 107449674

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1-propoxycyclohexyl)methanol?
The IUPAC name of (3-propan-2-yl-1-propoxycyclohexyl)methanol (CID 165490015) is (3-propan-2-yl-1-propoxycyclohexyl)methanol.
What is the SMILES notation for (3-propan-2-yl-1-propoxycyclohexyl)methanol?
The canonical SMILES for (3-propan-2-yl-1-propoxycyclohexyl)methanol is CCCOC1(CO)CCCC(C(C)C)C1.
What is the InChIKey of (3-propan-2-yl-1-propoxycyclohexyl)methanol?
The InChIKey is XUEXWCKJFOCFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-8-15-13(10-14)7-5-6-12(9-13)11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of (3-propan-2-yl-1-propoxycyclohexyl)methanol?
(3-propan-2-yl-1-propoxycyclohexyl)methanol 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 (3-propan-2-yl-1-propoxycyclohexyl)methanol is sourced from PubChem (CID 165490015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).