4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol

C12H24O2 — CID 115809388

IUPAC4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCC(C)(C)C(O)CCC1CCCO1
InChIInChI=1S/C12H24O2/c1-4-12(2,3)11(13)8-7-10-6-5-9-14-10/h10-11,13H,4-9H2,1-3H3
InChIKeyOFYHGKZVOZHBKW-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds5

About 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol

4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol (PubChem CID 115809388) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
PubChem CID115809388
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCC(C)(C)C(O)CCC1CCCO1
InChIInChI=1S/C12H24O2/c1-4-12(2,3)11(13)8-7-10-6-5-9-14-10/h10-11,13H,4-9H2,1-3H3
InChIKeyOFYHGKZVOZHBKW-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79047027
4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
CID 79060808
4-(azepan-1-yl)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79051804
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 116752270
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol (CID 115809388) is 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol is CCC(C)(C)C(O)CCC1CCCO1.
What is the InChIKey of 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
The InChIKey is OFYHGKZVOZHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-12(2,3)11(13)8-7-10-6-5-9-14-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 115809388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).