1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane

C14H20 — CID 59710788

IUPAC1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane
SMILESC=C1CC1CC1CC(CC2CC2=C)C1
InChIInChI=1S/C14H20/c1-9-3-13(9)7-11-5-12(6-11)8-14-4-10(14)2/h11-14H,1-8H2
InChIKeyUVMMRLFUPHKKEW-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.94
Rot. Bonds4

About 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane

1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane (PubChem CID 59710788) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane.

Molecular Properties

Compound Name1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane
PubChem CID59710788
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane
SMILESC=C1CC1CC1CC(CC2CC2=C)C1
InChIInChI=1S/C14H20/c1-9-3-13(9)7-11-5-12(6-11)8-14-4-10(14)2/h11-14H,1-8H2
InChIKeyUVMMRLFUPHKKEW-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(Buta-1,3-diene-2,3-diyl)dicyclopropane
CID 12708981
2,4-Dicyclopropylpentene
CID 129804298
1-Pentyl-3-prop-1-en-2-ylcyclobutane
CID 134953496
1-Butyl-3-prop-1-en-2-ylcyclobutane
CID 162409061
(trans-2,3-Methylene)-7-octenyl-cyclopropane
CID 6427682
(trans-4,5-Methylene)-7-octenyl-cyclopropane
CID 6427686
1-Ethyl-2-pent-1-en-2-ylcyclopropane
CID 12510967
1-(2-Methylbutyl)-2-methylidenecyclobutane
CID 14146592
1-Methylidene-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 23528890
1,3-Bis[(2-ethenylcyclopropyl)methyl]cyclobutane
CID 59422098
1-(3-Methylbutyl)-2-prop-1-en-2-ylcyclopropane
CID 90722254
3-Cyclopropylbut-3-enylcyclopropane
CID 90791571

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane?
The IUPAC name of 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane (CID 59710788) is 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane.
What is the SMILES notation for 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane?
The canonical SMILES for 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane is C=C1CC1CC1CC(CC2CC2=C)C1.
What is the InChIKey of 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane?
The InChIKey is UVMMRLFUPHKKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-9-3-13(9)7-11-5-12(6-11)8-14-4-10(14)2/h11-14H,1-8H2.
What are the key properties of 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane?
1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane has a molecular weight of 188.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-methylidenecyclopropyl)methyl]cyclobutane is sourced from PubChem (CID 59710788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).