(Z,3S,4S)-hept-5-ene-3,4-diol

C7H14O2 — CID 134854667

IUPAC(Z,3S,4S)-hept-5-ene-3,4-diol
SMILESC/C=C\[C@H](O)[C@@H](O)CC
InChIInChI=1S/C7H14O2/c1-3-5-7(9)6(8)4-2/h3,5-9H,4H2,1-2H3/b5-3-/t6-,7-/m0/s1
InChIKeyOSNFVSBBBNVOBW-WLCWXYBBSA-N
MW130.19 g/mol
LogP0.69
Rot. Bonds3

About (Z,3S,4S)-hept-5-ene-3,4-diol

(Z,3S,4S)-hept-5-ene-3,4-diol (PubChem CID 134854667) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (Z,3S,4S)-hept-5-ene-3,4-diol.

Molecular Properties

Compound Name(Z,3S,4S)-hept-5-ene-3,4-diol
PubChem CID134854667
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(Z,3S,4S)-hept-5-ene-3,4-diol
SMILESC/C=C\[C@H](O)[C@@H](O)CC
InChIInChI=1S/C7H14O2/c1-3-5-7(9)6(8)4-2/h3,5-9H,4H2,1-2H3/b5-3-/t6-,7-/m0/s1
InChIKeyOSNFVSBBBNVOBW-WLCWXYBBSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.69
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

(3S,4S)-trideca-5,11-dien-7,9-diyne-3,4-diol
CID 163034432
(E)-hex-4-en-3-ol
CID 5366234
(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
CID 143165372
(E)-4-methylpent-2-ene;propane
CID 142019888
butan-2-ol;but-2-ene
CID 157060914
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
(E,2S,3R)-2-(ethylamino)hex-4-ene-1,3-diol
CID 89125227
(E,3R,4S,5R)-3,5-dihydroxy-4-methyloct-6-enoic acid
CID 163050810
(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol
CID 5367947
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
heptane-1,2,3,4,5-pentol
CID 21365644

Frequently Asked Questions

What is the IUPAC name of (Z,3S,4S)-hept-5-ene-3,4-diol?
The IUPAC name of (Z,3S,4S)-hept-5-ene-3,4-diol (CID 134854667) is (Z,3S,4S)-hept-5-ene-3,4-diol.
What is the SMILES notation for (Z,3S,4S)-hept-5-ene-3,4-diol?
The canonical SMILES for (Z,3S,4S)-hept-5-ene-3,4-diol is C/C=C\[C@H](O)[C@@H](O)CC.
What is the InChIKey of (Z,3S,4S)-hept-5-ene-3,4-diol?
The InChIKey is OSNFVSBBBNVOBW-WLCWXYBBSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-7(9)6(8)4-2/h3,5-9H,4H2,1-2H3/b5-3-/t6-,7-/m0/s1.
What are the key properties of (Z,3S,4S)-hept-5-ene-3,4-diol?
(Z,3S,4S)-hept-5-ene-3,4-diol has a molecular weight of 130.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,4S)-hept-5-ene-3,4-diol is sourced from PubChem (CID 134854667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).