3-ethyl-3,4-dimethylhexan-1-ol

C10H22O — CID 139931255

IUPAC3-ethyl-3,4-dimethylhexan-1-ol
SMILESCCC(C)C(C)(CC)CCO
InChIInChI=1S/C10H22O/c1-5-9(3)10(4,6-2)7-8-11/h9,11H,5-8H2,1-4H3
InChIKeyPRBXVPCRBFZPOE-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-3,4-dimethylhexan-1-ol

3-ethyl-3,4-dimethylhexan-1-ol (PubChem CID 139931255) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-ethyl-3,4-dimethylhexan-1-ol.

Molecular Properties

Compound Name3-ethyl-3,4-dimethylhexan-1-ol
PubChem CID139931255
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-ethyl-3,4-dimethylhexan-1-ol
SMILESCCC(C)C(C)(CC)CCO
InChIInChI=1S/C10H22O/c1-5-9(3)10(4,6-2)7-8-11/h9,11H,5-8H2,1-4H3
InChIKeyPRBXVPCRBFZPOE-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-2,6,7-trimethylnon-2-ene
CID 123408225
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
2-ethyl-2,3-dimethylpentane-1-thiol
CID 123266767
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
2-butoxy-5-ethyl-2,5,6-trimethyloctane
CID 91518034
(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol
CID 88968566
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
6-ethyl-2,6,7-trimethyldecane
CID 123269799
2,3-dimethylpentane-2-thiol
CID 90985123
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dimethylhexan-1-ol?
The IUPAC name of 3-ethyl-3,4-dimethylhexan-1-ol (CID 139931255) is 3-ethyl-3,4-dimethylhexan-1-ol.
What is the SMILES notation for 3-ethyl-3,4-dimethylhexan-1-ol?
The canonical SMILES for 3-ethyl-3,4-dimethylhexan-1-ol is CCC(C)C(C)(CC)CCO.
What is the InChIKey of 3-ethyl-3,4-dimethylhexan-1-ol?
The InChIKey is PRBXVPCRBFZPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-9(3)10(4,6-2)7-8-11/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-3,4-dimethylhexan-1-ol?
3-ethyl-3,4-dimethylhexan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-dimethylhexan-1-ol is sourced from PubChem (CID 139931255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).