2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]

C32H56 — CID 123706925

IUPAC2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
SMILESC=C(CCC1C2C1(C)C21C(C)C1C(C)(CC)C(=C)C)CC(C)CC(C)CC(C)C(C)(C)C
InChIInChI=1S/C32H56/c1-14-30(12,20(2)3)27-25(8)32(27)28-26(31(28,32)13)16-15-21(4)17-22(5)18-23(6)19-24(7)29(9,10)11/h22-28H,2,4,14-19H2,1,3,5-13H3
InChIKeyHABWMRDTSQRZDI-UHFFFAOYSA-N
MW440.80 g/mol
LogP9.96
Rot. Bonds12

About 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]

2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] (PubChem CID 123706925) has the molecular formula C32H56 and a molecular weight of 440.80 g/mol. Its IUPAC name is 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane].

Molecular Properties

Compound Name2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
PubChem CID123706925
Molecular FormulaC32H56
Molecular Weight440.80 g/mol
Exact Mass440.44
IUPAC Name2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
SMILESC=C(CCC1C2C1(C)C21C(C)C1C(C)(CC)C(=C)C)CC(C)CC(C)CC(C)C(C)(C)C
InChIInChI=1S/C32H56/c1-14-30(12,20(2)3)27-25(8)32(27)28-26(31(28,32)13)16-15-21(4)17-22(5)18-23(6)19-24(7)29(9,10)11/h22-28H,2,4,14-19H2,1,3,5-13H3
InChIKeyHABWMRDTSQRZDI-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 59.96
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

1,2-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
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
Zinc, bis[2,2-dimethyl-3-(2-methyl-2-propenyl)cyclopropyl]-
CID 557284
Bis[2,2-dimethyl-3-(2-methyl-2-propenyl)cyclopropyl]zinc
CID 12868464
CID 101282260
CID 101282260
3-Tert-butyl-13-decyl-2,2,3,6,6,7,7,9,9,10,10-undecamethyl-4-methylidenepentacosane
CID 20731902
(3S,7S,8R,11R,14R,17S)-17-ethyl-2,7,22,22-tetramethyl-5,10,13,16,20-pentamethylidene-8,14-bis(2-methylpropyl)-3-propan-2-yl-11-propyltricos-1-ene
CID 60001742
2-Butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane
CID 90686929

Frequently Asked Questions

What is the IUPAC name of 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
The IUPAC name of 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] (CID 123706925) is 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane].
What is the SMILES notation for 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
The canonical SMILES for 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] is C=C(CCC1C2C1(C)C21C(C)C1C(C)(CC)C(=C)C)CC(C)CC(C)CC(C)C(C)(C)C.
What is the InChIKey of 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
The InChIKey is HABWMRDTSQRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56/c1-14-30(12,20(2)3)27-25(8)32(27)28-26(31(28,32)13)16-15-21(4)17-22(5)18-23(6)19-24(7)29(9,10)11/h22-28H,2,4,14-19H2,1,3,5-13H3.
What are the key properties of 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] has a molecular weight of 440.80 g/mol, XLogP of 9.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2,3-dimethylpent-1-en-3-yl)-1,3'-dimethyl-4-(5,7,9,10,10-pentamethyl-3-methylideneundecyl)spiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] is sourced from PubChem (CID 123706925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).