2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol

C13H24O — CID 101484213

IUPAC2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol
SMILESCCCCC(=C=C(C)C)C(C)(C)CO
InChIInChI=1S/C13H24O/c1-6-7-8-12(9-11(2)3)13(4,5)10-14/h14H,6-8,10H2,1-5H3
InChIKeyLXALXYUMGJUKMP-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.69
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol

2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol (PubChem CID 101484213) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol
PubChem CID101484213
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol
SMILESCCCCC(=C=C(C)C)C(C)(C)CO
InChIInChI=1S/C13H24O/c1-6-7-8-12(9-11(2)3)13(4,5)10-14/h14H,6-8,10H2,1-5H3
InChIKeyLXALXYUMGJUKMP-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentanoyl 3-hydroxy-2,2-dimethylpropanoate
CID 174800494
5-(2-methylprop-1-enylidene)non-3-yn-1-ol
CID 11063264
4-(2-methylprop-1-enylidene)octan-2-ol
CID 12739718
(2S)-4-(2-methylprop-1-enylidene)octan-2-ol
CID 71419807
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2-dimethyldecan-1-ol
CID 520069
2,2-dimethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid);pentanoic acid
CID 174843783
2-ethyltridecane-1,2-diol
CID 88923996
hexan-2-one;2,2,4,4-tetramethylpentan-3-one
CID 87147790
methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride
CID 139758911
6,6,9-trimethyldec-8-en-5-one
CID 59350132
(6-hydroxy-3-methylhexan-3-yl) pentanoate
CID 88900060

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol (CID 101484213) is 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol is CCCCC(=C=C(C)C)C(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol?
The InChIKey is LXALXYUMGJUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-8-12(9-11(2)3)13(4,5)10-14/h14H,6-8,10H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol?
2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol is sourced from PubChem (CID 101484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).