2-ethylidenepentane-1,1-diol

C7H14O2 — CID 174458356

IUPAC2-ethylidenepentane-1,1-diol
SMILESCC=C(CCC)C(O)O
InChIInChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h4,7-9H,3,5H2,1-2H3
InChIKeyUWEUREQZNXORKD-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.04
Rot. Bonds3

About 2-ethylidenepentane-1,1-diol

2-ethylidenepentane-1,1-diol (PubChem CID 174458356) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethylidenepentane-1,1-diol.

Molecular Properties

Compound Name2-ethylidenepentane-1,1-diol
PubChem CID174458356
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethylidenepentane-1,1-diol
SMILESCC=C(CCC)C(O)O
InChIInChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h4,7-9H,3,5H2,1-2H3
InChIKeyUWEUREQZNXORKD-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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[(2Z)-2-ethylidene-1-hydroxypentyl] formate
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(E)-2-methyl-4-propyloct-4-en-3-ol
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(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol
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(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
4-ethylidene-3-methyloctane
CID 90798217
3-propyldodec-3-en-2-ol
CID 71375191
butan-2-ol;but-2-ene
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hex-2-ene-3-thiol
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Frequently Asked Questions

What is the IUPAC name of 2-ethylidenepentane-1,1-diol?
The IUPAC name of 2-ethylidenepentane-1,1-diol (CID 174458356) is 2-ethylidenepentane-1,1-diol.
What is the SMILES notation for 2-ethylidenepentane-1,1-diol?
The canonical SMILES for 2-ethylidenepentane-1,1-diol is CC=C(CCC)C(O)O.
What is the InChIKey of 2-ethylidenepentane-1,1-diol?
The InChIKey is UWEUREQZNXORKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h4,7-9H,3,5H2,1-2H3.
What are the key properties of 2-ethylidenepentane-1,1-diol?
2-ethylidenepentane-1,1-diol has a molecular weight of 130.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenepentane-1,1-diol is sourced from PubChem (CID 174458356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).