1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol

C9H16O — CID 11469120

IUPAC1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol
SMILESCCC(O)C1=C(C)C1(C)C
InChIInChI=1S/C9H16O/c1-5-7(10)8-6(2)9(8,3)4/h7,10H,5H2,1-4H3
InChIKeyZZSKIXNNWMXTOZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol

1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol (PubChem CID 11469120) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol
PubChem CID11469120
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol
SMILESCCC(O)C1=C(C)C1(C)C
InChIInChI=1S/C9H16O/c1-5-7(10)8-6(2)9(8,3)4/h7,10H,5H2,1-4H3
InChIKeyZZSKIXNNWMXTOZ-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
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 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol?
The IUPAC name of 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol (CID 11469120) is 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol is CCC(O)C1=C(C)C1(C)C.
What is the InChIKey of 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol?
The InChIKey is ZZSKIXNNWMXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7(10)8-6(2)9(8,3)4/h7,10H,5H2,1-4H3.
What are the key properties of 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol?
1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethylcyclopropen-1-yl)propan-1-ol is sourced from PubChem (CID 11469120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).