1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane

C26H46 — CID 123324092

IUPAC1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane
SMILESC=C(C)C(C(C)C)C1C(C)C1(C)C(C)C(C)C1CC(CC2CC2CC)C1
InChIInChI=1S/C26H46/c1-10-21-14-23(21)13-20-11-22(12-20)17(6)18(7)26(9)19(8)25(26)24(15(2)3)16(4)5/h16-25H,2,10-14H2,1,3-9H3
InChIKeyUNDMANFHOTWIOK-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.84
Rot. Bonds9

About 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane

1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane (PubChem CID 123324092) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane.

Molecular Properties

Compound Name1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane
PubChem CID123324092
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane
SMILESC=C(C)C(C(C)C)C1C(C)C1(C)C(C)C(C)C1CC(CC2CC2CC)C1
InChIInChI=1S/C26H46/c1-10-21-14-23(21)13-20-11-22(12-20)17(6)18(7)26(9)19(8)25(26)24(15(2)3)16(4)5/h16-25H,2,10-14H2,1,3-9H3
InChIKeyUNDMANFHOTWIOK-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.84
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-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane?
The IUPAC name of 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane (CID 123324092) is 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane.
What is the SMILES notation for 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane?
The canonical SMILES for 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane is C=C(C)C(C(C)C)C1C(C)C1(C)C(C)C(C)C1CC(CC2CC2CC)C1.
What is the InChIKey of 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane?
The InChIKey is UNDMANFHOTWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-10-21-14-23(21)13-20-11-22(12-20)17(6)18(7)26(9)19(8)25(26)24(15(2)3)16(4)5/h16-25H,2,10-14H2,1,3-9H3.
What are the key properties of 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane?
1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane has a molecular weight of 358.65 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,4-dimethylpent-1-en-3-yl)-1,3-dimethylcyclopropyl]butan-2-yl]-3-[(2-ethylcyclopropyl)methyl]cyclobutane is sourced from PubChem (CID 123324092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).