(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol

C14H26O2 — CID 107192269

IUPAC(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
SMILESCC1(C)CCCCC1C(O)C1CCOCC1
InChIInChI=1S/C14H26O2/c1-14(2)8-4-3-5-12(14)13(15)11-6-9-16-10-7-11/h11-13,15H,3-10H2,1-2H3
InChIKeyJAQKAJHNDADJQR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol

(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol (PubChem CID 107192269) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
PubChem CID107192269
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
SMILESCC1(C)CCCCC1C(O)C1CCOCC1
InChIInChI=1S/C14H26O2/c1-14(2)8-4-3-5-12(14)13(15)11-6-9-16-10-7-11/h11-13,15H,3-10H2,1-2H3
InChIKeyJAQKAJHNDADJQR-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2,2-dimethylcyclopentyl)methanol
CID 107192993
(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192712
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192398
oxan-4-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115797718
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
cyclopentyl-(2,2-dimethylcyclopropyl)methanol
CID 76740101
(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107192685
(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine
CID 107188775
cyclopropyl(oxan-4-yl)methanol
CID 63936668
(R)-cyclohexyl-[(1R)-2,2-dimethylcyclopropyl]methanol
CID 101342425
1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol (CID 107192269) is (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol is CC1(C)CCCCC1C(O)C1CCOCC1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol?
The InChIKey is JAQKAJHNDADJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-14(2)8-4-3-5-12(14)13(15)11-6-9-16-10-7-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol?
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 107192269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).