3-methyl-1-(oxolan-2-yl)hexan-1-ol

C11H22O2 — CID 65331190

IUPAC3-methyl-1-(oxolan-2-yl)hexan-1-ol
SMILESCCCC(C)CC(O)C1CCCO1
InChIInChI=1S/C11H22O2/c1-3-5-9(2)8-10(12)11-6-4-7-13-11/h9-12H,3-8H2,1-2H3
InChIKeyRBWCDKMZYWBVDR-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds5

About 3-methyl-1-(oxolan-2-yl)hexan-1-ol

3-methyl-1-(oxolan-2-yl)hexan-1-ol (PubChem CID 65331190) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-yl)hexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-yl)hexan-1-ol
PubChem CID65331190
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-1-(oxolan-2-yl)hexan-1-ol
SMILESCCCC(C)CC(O)C1CCCO1
InChIInChI=1S/C11H22O2/c1-3-5-9(2)8-10(12)11-6-4-7-13-11/h9-12H,3-8H2,1-2H3
InChIKeyRBWCDKMZYWBVDR-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
CID 174771936
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-yl)hexan-1-ol?
The IUPAC name of 3-methyl-1-(oxolan-2-yl)hexan-1-ol (CID 65331190) is 3-methyl-1-(oxolan-2-yl)hexan-1-ol.
What is the SMILES notation for 3-methyl-1-(oxolan-2-yl)hexan-1-ol?
The canonical SMILES for 3-methyl-1-(oxolan-2-yl)hexan-1-ol is CCCC(C)CC(O)C1CCCO1.
What is the InChIKey of 3-methyl-1-(oxolan-2-yl)hexan-1-ol?
The InChIKey is RBWCDKMZYWBVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-9(2)8-10(12)11-6-4-7-13-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(oxolan-2-yl)hexan-1-ol?
3-methyl-1-(oxolan-2-yl)hexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-yl)hexan-1-ol is sourced from PubChem (CID 65331190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).