2-propylidenehept-3-ene-1,5-diol

C10H18O2 — CID 57275472

IUPAC2-propylidenehept-3-ene-1,5-diol
SMILESCCC=C(C=CC(O)CC)CO
InChIInChI=1S/C10H18O2/c1-3-5-9(8-11)6-7-10(12)4-2/h5-7,10-12H,3-4,8H2,1-2H3
InChIKeyMCCQYILWXLTUON-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About 2-propylidenehept-3-ene-1,5-diol

2-propylidenehept-3-ene-1,5-diol (PubChem CID 57275472) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-propylidenehept-3-ene-1,5-diol.

Molecular Properties

Compound Name2-propylidenehept-3-ene-1,5-diol
PubChem CID57275472
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-propylidenehept-3-ene-1,5-diol
SMILESCCC=C(C=CC(O)CC)CO
InChIInChI=1S/C10H18O2/c1-3-5-9(8-11)6-7-10(12)4-2/h5-7,10-12H,3-4,8H2,1-2H3
InChIKeyMCCQYILWXLTUON-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3R)-hept-4-en-3-ol
CID 11007865
5-hydroxyhept-3-en-2-one
CID 74046190
(E)-hex-4-en-3-ol
CID 5366234
ethyl 4-hydroxyhex-2-enoate
CID 568162
(6Z)-3,6-diethylnona-4,6-dienoic acid
CID 143337059
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
CID 15755837
ethyl (2E,4E)-3-ethoxy-6-hydroxyocta-2,4-dienoate
CID 101021108
2-hydroxybutanethial
CID 14141721
nona-1,5-diene-3,7-diol
CID 57057192
(2Z,4Z)-1-fluoro-4-propylhepta-2,4-diene
CID 143996817
8-chlorooct-4-en-3-ol
CID 71392279

Frequently Asked Questions

What is the IUPAC name of 2-propylidenehept-3-ene-1,5-diol?
The IUPAC name of 2-propylidenehept-3-ene-1,5-diol (CID 57275472) is 2-propylidenehept-3-ene-1,5-diol.
What is the SMILES notation for 2-propylidenehept-3-ene-1,5-diol?
The canonical SMILES for 2-propylidenehept-3-ene-1,5-diol is CCC=C(C=CC(O)CC)CO.
What is the InChIKey of 2-propylidenehept-3-ene-1,5-diol?
The InChIKey is MCCQYILWXLTUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-9(8-11)6-7-10(12)4-2/h5-7,10-12H,3-4,8H2,1-2H3.
What are the key properties of 2-propylidenehept-3-ene-1,5-diol?
2-propylidenehept-3-ene-1,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylidenehept-3-ene-1,5-diol is sourced from PubChem (CID 57275472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).