(Z)-4-propylhept-2-ene-1,4-diol

C10H20O2 — CID 134978717

IUPAC(Z)-4-propylhept-2-ene-1,4-diol
SMILESCCCC(O)(/C=C\CO)CCC
InChIInChI=1S/C10H20O2/c1-3-6-10(12,7-4-2)8-5-9-11/h5,8,11-12H,3-4,6-7,9H2,1-2H3/b8-5-
InChIKeyQGZIDLCPSZFJQG-YVMONPNESA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds6

About (Z)-4-propylhept-2-ene-1,4-diol

(Z)-4-propylhept-2-ene-1,4-diol (PubChem CID 134978717) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-4-propylhept-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-4-propylhept-2-ene-1,4-diol
PubChem CID134978717
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(Z)-4-propylhept-2-ene-1,4-diol
SMILESCCCC(O)(/C=C\CO)CCC
InChIInChI=1S/C10H20O2/c1-3-6-10(12,7-4-2)8-5-9-11/h5,8,11-12H,3-4,6-7,9H2,1-2H3/b8-5-
InChIKeyQGZIDLCPSZFJQG-YVMONPNESA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.87
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

Cembra-2,7,11-triene-4,6-diol
CID 11109567
(6E)-8-Hydroxylinalool
CID 5280678
Npc213918
CID 5352452
(1S,2E,4R,6R,7E,11E)-2,7,11-Cembratriene-4,6-Diol
CID 10946717
Geraniol hydrate
CID 10953994
1,6,9-Farnesatriene-3,11-diol
CID 131752076
Boletinin A
CID 11198071
(1S,2E,4S,6R,7E,11E)-2,7,11-cembratriene-4,6-diol
CID 6438508
(+)-beta-Cembratrienediol
CID 6440192
4,8,13-Duvatriene-1,3-diol
CID 6436665
(3Z)-5-(1,1-Dimethylethyl)-3-octene-2,5-diol
CID 87676620
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-prop-1-en-2-ylcyclotetradeca-2,7,11-triene-1,4-diol
CID 155561546

Frequently Asked Questions

What is the IUPAC name of (Z)-4-propylhept-2-ene-1,4-diol?
The IUPAC name of (Z)-4-propylhept-2-ene-1,4-diol (CID 134978717) is (Z)-4-propylhept-2-ene-1,4-diol.
What is the SMILES notation for (Z)-4-propylhept-2-ene-1,4-diol?
The canonical SMILES for (Z)-4-propylhept-2-ene-1,4-diol is CCCC(O)(/C=C\CO)CCC.
What is the InChIKey of (Z)-4-propylhept-2-ene-1,4-diol?
The InChIKey is QGZIDLCPSZFJQG-YVMONPNESA-N. The full InChI is InChI=1S/C10H20O2/c1-3-6-10(12,7-4-2)8-5-9-11/h5,8,11-12H,3-4,6-7,9H2,1-2H3/b8-5-.
What are the key properties of (Z)-4-propylhept-2-ene-1,4-diol?
(Z)-4-propylhept-2-ene-1,4-diol has a molecular weight of 172.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-propylhept-2-ene-1,4-diol is sourced from PubChem (CID 134978717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).