1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane

C33H58 — CID 123689525

IUPAC1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane
SMILESC=C(C)CC(CC1C(C)C(C2CC2)C(CC)C1CCC)C1CC1C(C)(C)C1(C)CC1(C)CC
InChIInChI=1S/C33H58/c1-11-14-26-25(12-2)30(23-15-16-23)22(6)27(26)18-24(17-21(4)5)28-19-29(28)31(7,8)33(10)20-32(33,9)13-3/h22-30H,4,11-20H2,1-3,5-10H3
InChIKeyPHJXGKSSJCZIRC-UHFFFAOYSA-N
MW454.83 g/mol
LogP10.18
Rot. Bonds12

About 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane

1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane (PubChem CID 123689525) has the molecular formula C33H58 and a molecular weight of 454.83 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane
PubChem CID123689525
Molecular FormulaC33H58
Molecular Weight454.83 g/mol
Exact Mass454.45
IUPAC Name1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane
SMILESC=C(C)CC(CC1C(C)C(C2CC2)C(CC)C1CCC)C1CC1C(C)(C)C1(C)CC1(C)CC
InChIInChI=1S/C33H58/c1-11-14-26-25(12-2)30(23-15-16-23)22(6)27(26)18-24(17-21(4)5)28-19-29(28)31(7,8)33(10)20-32(33,9)13-3/h22-30H,4,11-20H2,1-3,5-10H3
InChIKeyPHJXGKSSJCZIRC-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.83
LogP ≤ 510.18
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

1,5-Dimethyl-6-methylenespiro(2.4)heptane
CID 556472
1,2,4,5-Tetramethyl-6-methylenespiro[2.4]heptane
CID 564673
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
13-Methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane
CID 134889456
(2R,3S,4S)-2-ethyl-1,1,2,3,4-pentamethyl-5-methylidene-3-(2,3,3,5,5,6,6,7,7,8,8,9,9-tridecamethyl-4-methylidenedecan-2-yl)-4-(2,3,3,4,4,5,5,6,6,7,7-undecamethyl-8-methylidenedecan-2-yl)cyclopentane
CID 57626618
trans-(1R,2R)-1-tert-butyl-2-(2,2-dimethylpropyl)-1,2,3,3,5,5-hexamethyl-4,4-bis(prop-1-en-2-yl)cyclopentane
CID 59800044
1-Tert-butyl-2-(2,2-dimethylpropyl)-1,2,3,3,5,5-hexamethyl-4,4-bis(prop-1-en-2-yl)cyclopentane
CID 59800045
2-(2-Methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane
CID 90995011
1,2,2-Trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane
CID 91029529
2-(2,3-Diethylhexyl)-1-[11,11-dimethyl-3-(3-methyl-2-methylidenebutyl)-9-propylpentadecyl]-1-methylcyclopropane
CID 91117608
1-Tert-butyl-1-methyl-3-[5-methyl-4-[2-(3-methylbutyl)cyclopropyl]hex-5-en-2-yl]cyclopentane
CID 91253037
1-Ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane
CID 91383260

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane?
The IUPAC name of 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane (CID 123689525) is 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane?
The canonical SMILES for 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane is C=C(C)CC(CC1C(C)C(C2CC2)C(CC)C1CCC)C1CC1C(C)(C)C1(C)CC1(C)CC.
What is the InChIKey of 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane?
The InChIKey is PHJXGKSSJCZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58/c1-11-14-26-25(12-2)30(23-15-16-23)22(6)27(26)18-24(17-21(4)5)28-19-29(28)31(7,8)33(10)20-32(33,9)13-3/h22-30H,4,11-20H2,1-3,5-10H3.
What are the key properties of 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane?
1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane has a molecular weight of 454.83 g/mol, XLogP of 10.18, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-4-[2-[2-[2-(2-ethyl-1,2-dimethylcyclopropyl)propan-2-yl]cyclopropyl]-4-methylpent-4-enyl]-5-methyl-3-propylcyclopentane is sourced from PubChem (CID 123689525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).