(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol

C8H14O — CID 130874615

IUPAC(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
SMILESC=C=C(C)[C@H](C)[C@@H](C)O
InChIInChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h7-9H,1H2,2-4H3/t7-,8+/m0/s1
InChIKeyDRZQPXCUOYLOEX-JGVFFNPUSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds2

About (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol

(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol (PubChem CID 130874615) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol.

Molecular Properties

Compound Name(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
PubChem CID130874615
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
SMILESC=C=C(C)[C@H](C)[C@@H](C)O
InChIInChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h7-9H,1H2,2-4H3/t7-,8+/m0/s1
InChIKeyDRZQPXCUOYLOEX-JGVFFNPUSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
(3S)-2,4-dimethylhexa-4,5-dien-3-amine
CID 55284875
1-buta-2,3-dien-2-yloxyethanol
CID 130286219
5-chloro-3,4-dimethylpenta-1,2-diene
CID 55302448
ethane;2-methylbutane;3-methylhexane;3,4,5-trimethylhexa-1,2-diene
CID 164916151
3,4-dimethylhexa-1,4,5-trien-2-ylcyclopropane
CID 123939025
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
4-ethoxy-3,6-dimethylhepta-1,2-diene
CID 12571776
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
3-ethyl-4-methylhexa-4,5-dien-1-ol
CID 174367127
4-cyclopropylidene-3-methylpentan-2-ol
CID 12689017
5-hydroxy-4-methylhex-1-en-3-one
CID 174399075

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol?
The IUPAC name of (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol (CID 130874615) is (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol.
What is the SMILES notation for (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol?
The canonical SMILES for (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol is C=C=C(C)[C@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol?
The InChIKey is DRZQPXCUOYLOEX-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h7-9H,1H2,2-4H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol?
(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol is sourced from PubChem (CID 130874615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).