1-[(E)-pent-3-enyl]cyclobutan-1-ol

C9H16O — CID 143807113

IUPAC1-[(E)-pent-3-enyl]cyclobutan-1-ol
SMILESC/C=C/CCC1(O)CCC1
InChIInChI=1S/C9H16O/c1-2-3-4-6-9(10)7-5-8-9/h2-3,10H,4-8H2,1H3/b3-2+
InChIKeyDLEINMZBHCJCPR-NSCUHMNNSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds3

About 1-[(E)-pent-3-enyl]cyclobutan-1-ol

1-[(E)-pent-3-enyl]cyclobutan-1-ol (PubChem CID 143807113) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]cyclobutan-1-ol
PubChem CID143807113
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-[(E)-pent-3-enyl]cyclobutan-1-ol
SMILESC/C=C/CCC1(O)CCC1
InChIInChI=1S/C9H16O/c1-2-3-4-6-9(10)7-5-8-9/h2-3,10H,4-8H2,1H3/b3-2+
InChIKeyDLEINMZBHCJCPR-NSCUHMNNSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol
CID 107899296
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
5-(1-hydroxycyclopentyl)pentanal
CID 170984660
1-(3-methylbutyl)cyclobutan-1-ol
CID 59815736
3-(1-hydroxycyclobutyl)propanoic acid
CID 66323196
1-[(E)-hept-5-enyl]-1-methoxycyclobutane
CID 143807088
1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
CID 916078
1-[2-(ethylamino)ethyl]cyclopentan-1-ol
CID 121358963
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
5-(1-hydroxycyclobutyl)pentanoic acid
CID 115071625

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]cyclobutan-1-ol?
The IUPAC name of 1-[(E)-pent-3-enyl]cyclobutan-1-ol (CID 143807113) is 1-[(E)-pent-3-enyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(E)-pent-3-enyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(E)-pent-3-enyl]cyclobutan-1-ol is C/C=C/CCC1(O)CCC1.
What is the InChIKey of 1-[(E)-pent-3-enyl]cyclobutan-1-ol?
The InChIKey is DLEINMZBHCJCPR-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-6-9(10)7-5-8-9/h2-3,10H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-pent-3-enyl]cyclobutan-1-ol?
1-[(E)-pent-3-enyl]cyclobutan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]cyclobutan-1-ol is sourced from PubChem (CID 143807113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).