1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane

C34H64 — CID 59939112

IUPAC1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane
SMILESCC(C)=C(C)C(C)(C)CC(C)(C)C(C)=C(C)C(C)(C)CC(C)(C)C1CC1C(C)(C)CC(C)(C)C
InChIInChI=1S/C34H64/c1-23(2)24(3)30(9,10)21-31(11,12)25(4)26(5)32(13,14)22-34(17,18)28-19-27(28)33(15,16)20-29(6,7)8/h27-28H,19-22H2,1-18H3
InChIKeySEZKSIBPAAQVRI-UHFFFAOYSA-N
MW472.89 g/mol
LogP11.66
Rot. Bonds10

About 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane

1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane (PubChem CID 59939112) has the molecular formula C34H64 and a molecular weight of 472.89 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane
PubChem CID59939112
Molecular FormulaC34H64
Molecular Weight472.89 g/mol
Exact Mass472.50
IUPAC Name1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane
SMILESCC(C)=C(C)C(C)(C)CC(C)(C)C(C)=C(C)C(C)(C)CC(C)(C)C1CC1C(C)(C)CC(C)(C)C
InChIInChI=1S/C34H64/c1-23(2)24(3)30(9,10)21-31(11,12)25(4)26(5)32(13,14)22-34(17,18)28-19-27(28)33(15,16)20-29(6,7)8/h27-28H,19-22H2,1-18H3
InChIKeySEZKSIBPAAQVRI-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 511.66
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

2,3,4,4,6,6,8,8-octamethylnon-2-ene
CID 58468529
2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium
CID 159855533
2,4,4-trimethylpentan-2-ylcyclopentane
CID 90828490
2-[[2,4-dimethyl-2-propyl-4-[2-(2,2,4-trimethylheptan-4-yl)cyclopropyl]pentanoyl]-methylamino]acetic acid
CID 123664598
1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane
CID 123245860
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 142995371
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol
CID 154198602
2-bromo-2,4,4-trimethylpentane
CID 11435470
2-[(2,4-dichlorocyclohexyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol
CID 118372871
3,3,5,5-tetramethylhexan-2-imine
CID 139333872
4-(2-tert-butylcyclopropyl)butan-1-amine
CID 170282350

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane?
The IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane (CID 59939112) is 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane.
What is the SMILES notation for 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane?
The canonical SMILES for 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane is CC(C)=C(C)C(C)(C)CC(C)(C)C(C)=C(C)C(C)(C)CC(C)(C)C1CC1C(C)(C)CC(C)(C)C.
What is the InChIKey of 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane?
The InChIKey is SEZKSIBPAAQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64/c1-23(2)24(3)30(9,10)21-31(11,12)25(4)26(5)32(13,14)22-34(17,18)28-19-27(28)33(15,16)20-29(6,7)8/h27-28H,19-22H2,1-18H3.
What are the key properties of 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane?
1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane has a molecular weight of 472.89 g/mol, XLogP of 11.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane is sourced from PubChem (CID 59939112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).