1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane

C14H24 — CID 90934302

IUPAC1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane
SMILESC=CCC1CC(CCCC2CC2C)C1
InChIInChI=1S/C14H24/c1-3-5-12-9-13(10-12)6-4-7-14-8-11(14)2/h3,11-14H,1,4-10H2,2H3
InChIKeyNLZWWQAIDSUTLV-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.41
Rot. Bonds6

About 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane

1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane (PubChem CID 90934302) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane.

Molecular Properties

Compound Name1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane
PubChem CID90934302
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane
SMILESC=CCC1CC(CCCC2CC2C)C1
InChIInChI=1S/C14H24/c1-3-5-12-9-13(10-12)6-4-7-14-8-11(14)2/h3,11-14H,1,4-10H2,2H3
InChIKeyNLZWWQAIDSUTLV-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane?
The IUPAC name of 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane (CID 90934302) is 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane.
What is the SMILES notation for 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane?
The canonical SMILES for 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane is C=CCC1CC(CCCC2CC2C)C1.
What is the InChIKey of 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane?
The InChIKey is NLZWWQAIDSUTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-5-12-9-13(10-12)6-4-7-14-8-11(14)2/h3,11-14H,1,4-10H2,2H3.
What are the key properties of 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane?
1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane has a molecular weight of 192.35 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylcyclopropyl)propyl]-3-prop-2-enylcyclobutane is sourced from PubChem (CID 90934302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).