hept-6-en-1-ol

C7H14O — CID 543123

IUPAChept-6-en-1-ol
SMILESC=CCCCCCO
InChIInChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2
InChIKeyUFULDTPDHIRNGS-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.73
Rot. Bonds5

About hept-6-en-1-ol

hept-6-en-1-ol (PubChem CID 543123) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is hept-6-en-1-ol.

Molecular Properties

Compound Namehept-6-en-1-ol
PubChem CID543123
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namehept-6-en-1-ol
SMILESC=CCCCCCO
InChIInChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2
InChIKeyUFULDTPDHIRNGS-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.73
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 hept-6-en-1-ol?
The IUPAC name of hept-6-en-1-ol (CID 543123) is hept-6-en-1-ol.
What is the SMILES notation for hept-6-en-1-ol?
The canonical SMILES for hept-6-en-1-ol is C=CCCCCCO.
What is the InChIKey of hept-6-en-1-ol?
The InChIKey is UFULDTPDHIRNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2.
What are the key properties of hept-6-en-1-ol?
hept-6-en-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-en-1-ol is sourced from PubChem (CID 543123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).