(E)-2-propylhept-2-en-1-ol

C10H20O — CID 6365455

IUPAC(E)-2-propylhept-2-en-1-ol
SMILESCCCC/C=C(/CO)CCC
InChIInChI=1S/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h8,11H,3-7,9H2,1-2H3/b10-8+
InChIKeyBUHGPTZACAIKST-CSKARUKUSA-N
MW156.27 g/mol
LogP2.90
Rot. Bonds6

About (E)-2-propylhept-2-en-1-ol

(E)-2-propylhept-2-en-1-ol (PubChem CID 6365455) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-2-propylhept-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-propylhept-2-en-1-ol
PubChem CID6365455
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-2-propylhept-2-en-1-ol
SMILESCCCC/C=C(/CO)CCC
InChIInChI=1S/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h8,11H,3-7,9H2,1-2H3/b10-8+
InChIKeyBUHGPTZACAIKST-CSKARUKUSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-propylhept-2-en-1-ol?
The IUPAC name of (E)-2-propylhept-2-en-1-ol (CID 6365455) is (E)-2-propylhept-2-en-1-ol.
What is the SMILES notation for (E)-2-propylhept-2-en-1-ol?
The canonical SMILES for (E)-2-propylhept-2-en-1-ol is CCCC/C=C(/CO)CCC.
What is the InChIKey of (E)-2-propylhept-2-en-1-ol?
The InChIKey is BUHGPTZACAIKST-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h8,11H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of (E)-2-propylhept-2-en-1-ol?
(E)-2-propylhept-2-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propylhept-2-en-1-ol is sourced from PubChem (CID 6365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).