3,5-diethyl-3,5-dimethylheptan-4-ol

C13H28O — CID 58905143

IUPAC3,5-diethyl-3,5-dimethylheptan-4-ol
SMILESCCC(C)(CC)C(O)C(C)(CC)CC
InChIInChI=1S/C13H28O/c1-7-12(5,8-2)11(14)13(6,9-3)10-4/h11,14H,7-10H2,1-6H3
InChIKeyOLCOLHHENKZCCO-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds6

About 3,5-diethyl-3,5-dimethylheptan-4-ol

3,5-diethyl-3,5-dimethylheptan-4-ol (PubChem CID 58905143) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3,5-diethyl-3,5-dimethylheptan-4-ol.

Molecular Properties

Compound Name3,5-diethyl-3,5-dimethylheptan-4-ol
PubChem CID58905143
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3,5-diethyl-3,5-dimethylheptan-4-ol
SMILESCCC(C)(CC)C(O)C(C)(CC)CC
InChIInChI=1S/C13H28O/c1-7-12(5,8-2)11(14)13(6,9-3)10-4/h11,14H,7-10H2,1-6H3
InChIKeyOLCOLHHENKZCCO-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-3,8,8-trimethylnonan-4-ol
CID 156689455
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
1,5-diamino-2-ethyl-2-methylpentan-1-ol
CID 87944830
6-ethyl-3,5,6-trimethyloct-2-ene
CID 91251673
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
3-ethyl-3,5-dimethylnonan-4-ol
CID 156689817
6-ethyl-6,9-dimethyldec-8-en-5-ol
CID 118389079
1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol
CID 87199324
4-ethyl-4-methylhexan-3-amine
CID 163866952

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-3,5-dimethylheptan-4-ol?
The IUPAC name of 3,5-diethyl-3,5-dimethylheptan-4-ol (CID 58905143) is 3,5-diethyl-3,5-dimethylheptan-4-ol.
What is the SMILES notation for 3,5-diethyl-3,5-dimethylheptan-4-ol?
The canonical SMILES for 3,5-diethyl-3,5-dimethylheptan-4-ol is CCC(C)(CC)C(O)C(C)(CC)CC.
What is the InChIKey of 3,5-diethyl-3,5-dimethylheptan-4-ol?
The InChIKey is OLCOLHHENKZCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-7-12(5,8-2)11(14)13(6,9-3)10-4/h11,14H,7-10H2,1-6H3.
What are the key properties of 3,5-diethyl-3,5-dimethylheptan-4-ol?
3,5-diethyl-3,5-dimethylheptan-4-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-3,5-dimethylheptan-4-ol is sourced from PubChem (CID 58905143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).