4-hept-1-enyloxetan-2-ol

C10H18O2 — CID 140814520

IUPAC4-hept-1-enyloxetan-2-ol
SMILESCCCCCC=CC1CC(O)O1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-8-10(11)12-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyAUWLWBJQKGHRSV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds5

About 4-hept-1-enyloxetan-2-ol

4-hept-1-enyloxetan-2-ol (PubChem CID 140814520) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-hept-1-enyloxetan-2-ol.

Molecular Properties

Compound Name4-hept-1-enyloxetan-2-ol
PubChem CID140814520
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-hept-1-enyloxetan-2-ol
SMILESCCCCCC=CC1CC(O)O1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-8-10(11)12-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyAUWLWBJQKGHRSV-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol
CID 10921128
3-hept-1-enyl-7-oxabicyclo[4.1.0]heptane
CID 141299695
(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
CID 11389786
cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
CID 72704279
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
[(2R,3S,4S)-4-methyl-6-[(Z)-non-1-enyl]-3-propoxyoxan-2-yl] 2-aminoacetate
CID 67672328
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
2-[(Z)-oct-1-enyl]-1,3-dithiane
CID 14322876
non-1-enylcyclopentane
CID 86065492
(2S,5S)-5-hydroxy-2-[(E)-oct-1-enyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 122372541
(2S,7R)-7-hydroxy-2-[(E)-oct-1-enyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 46833711

Frequently Asked Questions

What is the IUPAC name of 4-hept-1-enyloxetan-2-ol?
The IUPAC name of 4-hept-1-enyloxetan-2-ol (CID 140814520) is 4-hept-1-enyloxetan-2-ol.
What is the SMILES notation for 4-hept-1-enyloxetan-2-ol?
The canonical SMILES for 4-hept-1-enyloxetan-2-ol is CCCCCC=CC1CC(O)O1.
What is the InChIKey of 4-hept-1-enyloxetan-2-ol?
The InChIKey is AUWLWBJQKGHRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-8-10(11)12-9/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 4-hept-1-enyloxetan-2-ol?
4-hept-1-enyloxetan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-1-enyloxetan-2-ol is sourced from PubChem (CID 140814520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).