1-pent-4-ynylcyclobutane-1-carbaldehyde

C10H14O — CID 131231194

IUPAC1-pent-4-ynylcyclobutane-1-carbaldehyde
SMILESC#CCCCC1(C=O)CCC1
InChIInChI=1S/C10H14O/c1-2-3-4-6-10(9-11)7-5-8-10/h1,9H,3-8H2
InChIKeyCNHLGSSVNMMPMN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds4

About 1-pent-4-ynylcyclobutane-1-carbaldehyde

1-pent-4-ynylcyclobutane-1-carbaldehyde (PubChem CID 131231194) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-pent-4-ynylcyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-pent-4-ynylcyclobutane-1-carbaldehyde
PubChem CID131231194
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-pent-4-ynylcyclobutane-1-carbaldehyde
SMILESC#CCCCC1(C=O)CCC1
InChIInChI=1S/C10H14O/c1-2-3-4-6-10(9-11)7-5-8-10/h1,9H,3-8H2
InChIKeyCNHLGSSVNMMPMN-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynylcyclobutane-1-carbaldehyde?
The IUPAC name of 1-pent-4-ynylcyclobutane-1-carbaldehyde (CID 131231194) is 1-pent-4-ynylcyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-pent-4-ynylcyclobutane-1-carbaldehyde?
The canonical SMILES for 1-pent-4-ynylcyclobutane-1-carbaldehyde is C#CCCCC1(C=O)CCC1.
What is the InChIKey of 1-pent-4-ynylcyclobutane-1-carbaldehyde?
The InChIKey is CNHLGSSVNMMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-6-10(9-11)7-5-8-10/h1,9H,3-8H2.
What are the key properties of 1-pent-4-ynylcyclobutane-1-carbaldehyde?
1-pent-4-ynylcyclobutane-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynylcyclobutane-1-carbaldehyde is sourced from PubChem (CID 131231194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).