(2Z)-2-butylidenepentane-1,4-diol

C9H18O2 — CID 100944358

IUPAC(2Z)-2-butylidenepentane-1,4-diol
SMILESCCC/C=C(\CO)CC(C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-9(7-10)6-8(2)11/h5,8,10-11H,3-4,6-7H2,1-2H3/b9-5-
InChIKeyQRFFCISFSIZVSE-UITAMQMPSA-N
MW158.24 g/mol
LogP1.48
Rot. Bonds5

About (2Z)-2-butylidenepentane-1,4-diol

(2Z)-2-butylidenepentane-1,4-diol (PubChem CID 100944358) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2Z)-2-butylidenepentane-1,4-diol.

Molecular Properties

Compound Name(2Z)-2-butylidenepentane-1,4-diol
PubChem CID100944358
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2Z)-2-butylidenepentane-1,4-diol
SMILESCCC/C=C(\CO)CC(C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-9(7-10)6-8(2)11/h5,8,10-11H,3-4,6-7H2,1-2H3/b9-5-
InChIKeyQRFFCISFSIZVSE-UITAMQMPSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-butylidenepentane-1,4-diol?
The IUPAC name of (2Z)-2-butylidenepentane-1,4-diol (CID 100944358) is (2Z)-2-butylidenepentane-1,4-diol.
What is the SMILES notation for (2Z)-2-butylidenepentane-1,4-diol?
The canonical SMILES for (2Z)-2-butylidenepentane-1,4-diol is CCC/C=C(\CO)CC(C)O.
What is the InChIKey of (2Z)-2-butylidenepentane-1,4-diol?
The InChIKey is QRFFCISFSIZVSE-UITAMQMPSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-9(7-10)6-8(2)11/h5,8,10-11H,3-4,6-7H2,1-2H3/b9-5-.
What are the key properties of (2Z)-2-butylidenepentane-1,4-diol?
(2Z)-2-butylidenepentane-1,4-diol has a molecular weight of 158.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-butylidenepentane-1,4-diol is sourced from PubChem (CID 100944358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).