1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane

C20H34 — CID 123170910

IUPAC1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane
SMILESC=C(C)C(C)(C(C)C(C)CCC)C(C)C1C2C(=C)C21C
InChIInChI=1S/C20H34/c1-10-11-13(4)14(5)19(8,12(2)3)15(6)17-18-16(7)20(17,18)9/h13-15,17-18H,2,7,10-11H2,1,3-6,8-9H3
InChIKeyGVZXVRXSBIMKTI-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.10
Rot. Bonds7

About 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane

1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane (PubChem CID 123170910) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane
PubChem CID123170910
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane
SMILESC=C(C)C(C)(C(C)C(C)CCC)C(C)C1C2C(=C)C21C
InChIInChI=1S/C20H34/c1-10-11-13(4)14(5)19(8,12(2)3)15(6)17-18-16(7)20(17,18)9/h13-15,17-18H,2,7,10-11H2,1,3-6,8-9H3
InChIKeyGVZXVRXSBIMKTI-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.10
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-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
1-Ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane
CID 138614421
1,2-Dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane
CID 138629058
1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186
2,4-Dicyclopropylpentene
CID 129804298
Methylidenedispiro[2.5.2.7]octadecane
CID 129815762
Methylidenedispiro[2.6.2.6]octadecane
CID 129815917
trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
CID 134865182
2,9-Dimethylidenehexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
CID 134900802
1-(2,6-Dimethylhept-1-en-3-yl)-1-methylcyclopropane
CID 134979201
1-Methyl-1-(2-methylhept-1-en-3-yl)cyclopropane
CID 134979287
[(1S,2R)-2-(2,6-dimethylhept-1-en-3-yl)-2-methylcyclopropyl]-bis(3-methylbutyl)borane
CID 135048195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane?
The IUPAC name of 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane (CID 123170910) is 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane is C=C(C)C(C)(C(C)C(C)CCC)C(C)C1C2C(=C)C21C.
What is the InChIKey of 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane?
The InChIKey is GVZXVRXSBIMKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-10-11-13(4)14(5)19(8,12(2)3)15(6)17-18-16(7)20(17,18)9/h13-15,17-18H,2,7,10-11H2,1,3-6,8-9H3.
What are the key properties of 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane?
1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane has a molecular weight of 274.49 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-(3,4,5-trimethyl-3-prop-1-en-2-yloctan-2-yl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123170910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).