(3R)-4-methylhexa-4,5-dien-3-ol

C7H12O — CID 11029792

IUPAC(3R)-4-methylhexa-4,5-dien-3-ol
SMILESC=C=C(C)[C@H](O)CC
InChIInChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h7-8H,1,5H2,2-3H3/t7-/m1/s1
InChIKeyGAIQDSZXONOUMB-SSDOTTSWSA-N
MW112.17 g/mol
LogP1.49
Rot. Bonds2

About (3R)-4-methylhexa-4,5-dien-3-ol

(3R)-4-methylhexa-4,5-dien-3-ol (PubChem CID 11029792) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3R)-4-methylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name(3R)-4-methylhexa-4,5-dien-3-ol
PubChem CID11029792
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3R)-4-methylhexa-4,5-dien-3-ol
SMILESC=C=C(C)[C@H](O)CC
InChIInChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h7-8H,1,5H2,2-3H3/t7-/m1/s1
InChIKeyGAIQDSZXONOUMB-SSDOTTSWSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-methylhexa-4,5-dien-1-ol
CID 174367127
(3S)-4-ethenylidenenonan-3-ol
CID 101219622
(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
CID 130874615
pent-1-ene-2,3-diol
CID 87754031
5-chloro-3,4-dimethylpenta-1,2-diene
CID 55302448
3-hydroxypentan-2-one;zinc
CID 174642767
ethane;2-methylbutane;3-methylhexane;3,4,5-trimethylhexa-1,2-diene
CID 164916151
fluoroethane;3-methylbuta-1,2-diene
CID 143722079
4-ethoxy-3,6-dimethylhepta-1,2-diene
CID 12571776
2-(fluoromethyl)pent-1-en-3-ol
CID 123568157
S-methyl 2-hydroxybutanethioate
CID 14398434
(3S)-2,4-dimethylhexa-4,5-dien-3-amine
CID 55284875

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methylhexa-4,5-dien-3-ol?
The IUPAC name of (3R)-4-methylhexa-4,5-dien-3-ol (CID 11029792) is (3R)-4-methylhexa-4,5-dien-3-ol.
What is the SMILES notation for (3R)-4-methylhexa-4,5-dien-3-ol?
The canonical SMILES for (3R)-4-methylhexa-4,5-dien-3-ol is C=C=C(C)[C@H](O)CC.
What is the InChIKey of (3R)-4-methylhexa-4,5-dien-3-ol?
The InChIKey is GAIQDSZXONOUMB-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h7-8H,1,5H2,2-3H3/t7-/m1/s1.
What are the key properties of (3R)-4-methylhexa-4,5-dien-3-ol?
(3R)-4-methylhexa-4,5-dien-3-ol has a molecular weight of 112.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methylhexa-4,5-dien-3-ol is sourced from PubChem (CID 11029792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).