(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol

C8H16O2 — CID 134966633

IUPAC(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol
SMILESC/C(=C/[C@H](C)[C@H](C)O)CO
InChIInChI=1S/C8H16O2/c1-6(5-9)4-7(2)8(3)10/h4,7-10H,5H2,1-3H3/b6-4-/t7-,8-/m0/s1
InChIKeySNBPCIHAXDLCSP-RGGFDPLPSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds3

About (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol

(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol (PubChem CID 134966633) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol
PubChem CID134966633
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol
SMILESC/C(=C/[C@H](C)[C@H](C)O)CO
InChIInChI=1S/C8H16O2/c1-6(5-9)4-7(2)8(3)10/h4,7-10H,5H2,1-3H3/b6-4-/t7-,8-/m0/s1
InChIKeySNBPCIHAXDLCSP-RGGFDPLPSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3,3,6-Trimethyl-1,5-heptadien-4-ol
CID 100197
4-Methyl-4E-hepten-3-ol
CID 5368945
4,8-Dimethylnona-3,7-dien-2-ol
CID 106874
2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)-
CID 13619433
Crinitol
CID 6441081
(2E,6E,10E,13S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,13-diol
CID 6443625
Lyratol
CID 5462982
Hydroxysqualene
CID 42599899
(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
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Aspinotriol B
CID 24763080

Frequently Asked Questions

What is the IUPAC name of (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol?
The IUPAC name of (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol (CID 134966633) is (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol.
What is the SMILES notation for (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol?
The canonical SMILES for (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol is C/C(=C/[C@H](C)[C@H](C)O)CO.
What is the InChIKey of (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol?
The InChIKey is SNBPCIHAXDLCSP-RGGFDPLPSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(5-9)4-7(2)8(3)10/h4,7-10H,5H2,1-3H3/b6-4-/t7-,8-/m0/s1.
What are the key properties of (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol?
(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol is sourced from PubChem (CID 134966633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).