1-hexyl-1,2,2-trimethylcyclopropane

C12H24 — CID 123520586

IUPAC1-hexyl-1,2,2-trimethylcyclopropane
SMILESCCCCCCC1(C)CC1(C)C
InChIInChI=1S/C12H24/c1-5-6-7-8-9-12(4)10-11(12,2)3/h5-10H2,1-4H3
InChIKeySNMUTLFDKVOTRB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds5

About 1-hexyl-1,2,2-trimethylcyclopropane

1-hexyl-1,2,2-trimethylcyclopropane (PubChem CID 123520586) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-hexyl-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name1-hexyl-1,2,2-trimethylcyclopropane
PubChem CID123520586
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-hexyl-1,2,2-trimethylcyclopropane
SMILESCCCCCCC1(C)CC1(C)C
InChIInChI=1S/C12H24/c1-5-6-7-8-9-12(4)10-11(12,2)3/h5-10H2,1-4H3
InChIKeySNMUTLFDKVOTRB-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
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

1-decyl-1,2,2-trimethylcyclooctane
CID 150686045
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961186
1-methyl-1-pentylcyclopropane
CID 524644
2-methyl-2-nonadecyloxirane
CID 87754306
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
2-hexadecyl-2-methyloxirane
CID 87444144
1,1,2-tribromo-2-heptylcyclopropane
CID 10970857
2-icosyl-2-methyloxirane
CID 87753382
(1R)-1-butyl-1,2,2-trimethylcyclohexane
CID 160652291

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,2,2-trimethylcyclopropane?
The IUPAC name of 1-hexyl-1,2,2-trimethylcyclopropane (CID 123520586) is 1-hexyl-1,2,2-trimethylcyclopropane.
What is the SMILES notation for 1-hexyl-1,2,2-trimethylcyclopropane?
The canonical SMILES for 1-hexyl-1,2,2-trimethylcyclopropane is CCCCCCC1(C)CC1(C)C.
What is the InChIKey of 1-hexyl-1,2,2-trimethylcyclopropane?
The InChIKey is SNMUTLFDKVOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-6-7-8-9-12(4)10-11(12,2)3/h5-10H2,1-4H3.
What are the key properties of 1-hexyl-1,2,2-trimethylcyclopropane?
1-hexyl-1,2,2-trimethylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 123520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).