[2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol

C11H20O2 — CID 116842740

IUPAC[2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol
SMILESCC1(C)CC1(CO)C1CCOCC1
InChIInChI=1S/C11H20O2/c1-10(2)7-11(10,8-12)9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyWHOBJZVGEXZWCY-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds2

About [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol

[2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol (PubChem CID 116842740) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol
PubChem CID116842740
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol
SMILESCC1(C)CC1(CO)C1CCOCC1
InChIInChI=1S/C11H20O2/c1-10(2)7-11(10,8-12)9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyWHOBJZVGEXZWCY-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130893120
3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol
CID 80698554
oxan-4-ylmethanol
CID 2773573
[(3aR,7aR)-7,7-dimethyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7a-yl]methanol
CID 142081177
2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130555054
3-[2-methyl-2-(oxan-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168507
1,2,4-trimethyl-2-(oxan-4-yl)piperazine
CID 116856567
2-[3-(oxan-4-yl)oxetan-3-yl]butanoic acid
CID 116875224
5-hydroxy-2-(1-hydroxypropylidene)-5-(oxan-4-yl)cyclohexane-1,3-dione
CID 22411051
oxan-4-ylmethanol;oxolan-3-ylmethanol
CID 159525892
oxepan-4-ylmethanol
CID 21094265
[1-amino-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79571590

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol?
The IUPAC name of [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol (CID 116842740) is [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol is CC1(C)CC1(CO)C1CCOCC1.
What is the InChIKey of [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol?
The InChIKey is WHOBJZVGEXZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7-11(10,8-12)9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol?
[2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol has a molecular weight of 184.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(oxan-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 116842740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).