1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane

C25H50 — CID 123620432

IUPAC1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
SMILESCCCCCCCCCC1(C)CC1C(CCC)C(C)CCCCCC
InChIInChI=1S/C25H50/c1-6-9-11-13-14-15-17-20-25(5)21-24(25)23(18-8-3)22(4)19-16-12-10-7-2/h22-24H,6-21H2,1-5H3
InChIKeyPJZSARFAKAECMU-UHFFFAOYSA-N
MW350.68 g/mol
LogP9.18
Rot. Bonds17

About 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane

1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane (PubChem CID 123620432) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
PubChem CID123620432
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
SMILESCCCCCCCCCC1(C)CC1C(CCC)C(C)CCCCCC
InChIInChI=1S/C25H50/c1-6-9-11-13-14-15-17-20-25(5)21-24(25)23(18-8-3)22(4)19-16-12-10-7-2/h22-24H,6-21H2,1-5H3
InChIKeyPJZSARFAKAECMU-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
CID 123964295
1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
CID 123760958
1,1-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane
CID 167171548
4,5-dimethylnonadecane
CID 123321090
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane?
The IUPAC name of 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane (CID 123620432) is 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane.
What is the SMILES notation for 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane?
The canonical SMILES for 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane is CCCCCCCCCC1(C)CC1C(CCC)C(C)CCCCCC.
What is the InChIKey of 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane?
The InChIKey is PJZSARFAKAECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-6-9-11-13-14-15-17-20-25(5)21-24(25)23(18-8-3)22(4)19-16-12-10-7-2/h22-24H,6-21H2,1-5H3.
What are the key properties of 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane?
1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane has a molecular weight of 350.68 g/mol, XLogP of 9.18, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane is sourced from PubChem (CID 123620432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).