(2S,3S)-3-methylhept-6-ene-1,2-diol

C8H16O2 — CID 102243304

IUPAC(2S,3S)-3-methylhept-6-ene-1,2-diol
SMILESC=CCC[C@H](C)[C@H](O)CO
InChIInChI=1S/C8H16O2/c1-3-4-5-7(2)8(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyUAODWIAAWCTNGG-JGVFFNPUSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds5

About (2S,3S)-3-methylhept-6-ene-1,2-diol

(2S,3S)-3-methylhept-6-ene-1,2-diol (PubChem CID 102243304) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,3S)-3-methylhept-6-ene-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-methylhept-6-ene-1,2-diol
PubChem CID102243304
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,3S)-3-methylhept-6-ene-1,2-diol
SMILESC=CCC[C@H](C)[C@H](O)CO
InChIInChI=1S/C8H16O2/c1-3-4-5-7(2)8(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyUAODWIAAWCTNGG-JGVFFNPUSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
2-methyloct-7-ene-3,4-diol
CID 103456684
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
2-(dimethylamino)hex-5-en-1-ol
CID 131050501
5,6,8-trimethylnon-1-ene
CID 123478459
3-hydroxy-2-methylhept-6-enal
CID 15601022
2-[(2S)-hex-5-en-2-yl]propanedioic acid
CID 172869361
1-cyclohexyl-2-methylhex-5-en-1-ol
CID 142828670
butane-1,2,3,4-tetrol;3-methylbutane-1,2,4-triol;2-methylpropane-1,3-diol
CID 159826635
4,5-dimethylnon-8-en-2-amine
CID 123559752
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methylhept-6-ene-1,2-diol?
The IUPAC name of (2S,3S)-3-methylhept-6-ene-1,2-diol (CID 102243304) is (2S,3S)-3-methylhept-6-ene-1,2-diol.
What is the SMILES notation for (2S,3S)-3-methylhept-6-ene-1,2-diol?
The canonical SMILES for (2S,3S)-3-methylhept-6-ene-1,2-diol is C=CCC[C@H](C)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-methylhept-6-ene-1,2-diol?
The InChIKey is UAODWIAAWCTNGG-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-7(2)8(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-3-methylhept-6-ene-1,2-diol?
(2S,3S)-3-methylhept-6-ene-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methylhept-6-ene-1,2-diol is sourced from PubChem (CID 102243304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).