1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane

C17H34 — CID 123964295

IUPAC1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1C(C)CCC(C)CC
InChIInChI=1S/C17H34/c1-6-8-9-12-17(5)13-16(17)15(4)11-10-14(3)7-2/h14-16H,6-13H2,1-5H3
InChIKeyLFZNNSKSAWDPJR-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds9

About 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane

1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane (PubChem CID 123964295) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
PubChem CID123964295
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1C(C)CCC(C)CC
InChIInChI=1S/C17H34/c1-6-8-9-12-17(5)13-16(17)15(4)11-10-14(3)7-2/h14-16H,6-13H2,1-5H3
InChIKeyLFZNNSKSAWDPJR-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
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-methylundecan-4-yl)-1-nonylcyclopropane
CID 123620432
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
(3R,6S)-3,6-dimethyldecane
CID 170848353
(3R)-3-methyltetracosane
CID 162842417
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
3-methylheptane;octane
CID 144782281
3-methyldodecane
CID 28469
(3R)-3-methyloctadecane
CID 98094048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane?
The IUPAC name of 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane (CID 123964295) is 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane.
What is the SMILES notation for 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane?
The canonical SMILES for 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane is CCCCCC1(C)CC1C(C)CCC(C)CC.
What is the InChIKey of 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane?
The InChIKey is LFZNNSKSAWDPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-8-9-12-17(5)13-16(17)15(4)11-10-14(3)7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane?
1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane is sourced from PubChem (CID 123964295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).