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

C12H24O2 — CID 65161696

IUPAC3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCC(C)C(C)(O)CCC1CCCO1
InChIInChI=1S/C12H24O2/c1-4-10(2)12(3,13)8-7-11-6-5-9-14-11/h10-11,13H,4-9H2,1-3H3
InChIKeyAXMIKKKNBYNZKH-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds5

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

3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol (PubChem CID 65161696) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
PubChem CID65161696
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCC(C)C(C)(O)CCC1CCCO1
InChIInChI=1S/C12H24O2/c1-4-10(2)12(3,13)8-7-11-6-5-9-14-11/h10-11,13H,4-9H2,1-3H3
InChIKeyAXMIKKKNBYNZKH-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

3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
2-(5-bromo-3,3-dimethylhexyl)oxolane
CID 65165426
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol (CID 65161696) is 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol is CCC(C)C(C)(O)CCC1CCCO1.
What is the InChIKey of 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
The InChIKey is AXMIKKKNBYNZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-10(2)12(3,13)8-7-11-6-5-9-14-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol?
3,4-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 3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 65161696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).