(3S)-hept-1-en-3-ol

C7H14O — CID 6999852

IUPAC(3S)-hept-1-en-3-ol
SMILESC=C[C@@H](O)CCCC
InChIInChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3/t7-/m1/s1
InChIKeyPZKFYTOLVRCMOA-SSDOTTSWSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds4

About (3S)-hept-1-en-3-ol

(3S)-hept-1-en-3-ol (PubChem CID 6999852) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-hept-1-en-3-ol.

Molecular Properties

Compound Name(3S)-hept-1-en-3-ol
PubChem CID6999852
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(3S)-hept-1-en-3-ol
SMILESC=C[C@@H](O)CCCC
InChIInChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3/t7-/m1/s1
InChIKeyPZKFYTOLVRCMOA-SSDOTTSWSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-hept-1-en-3-ol?
The IUPAC name of (3S)-hept-1-en-3-ol (CID 6999852) is (3S)-hept-1-en-3-ol.
What is the SMILES notation for (3S)-hept-1-en-3-ol?
The canonical SMILES for (3S)-hept-1-en-3-ol is C=C[C@@H](O)CCCC.
What is the InChIKey of (3S)-hept-1-en-3-ol?
The InChIKey is PZKFYTOLVRCMOA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-hept-1-en-3-ol?
(3S)-hept-1-en-3-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-hept-1-en-3-ol is sourced from PubChem (CID 6999852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).