1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane

C15H30 — CID 91373966

IUPAC1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
SMILESCCCCCC1CC1C(C)CC(C)(C)C
InChIInChI=1S/C15H30/c1-6-7-8-9-13-10-14(13)12(2)11-15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyRGRMIMDDFRMKSK-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds6

About 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane

1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane (PubChem CID 91373966) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane.

Molecular Properties

Compound Name1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
PubChem CID91373966
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
SMILESCCCCCC1CC1C(C)CC(C)(C)C
InChIInChI=1S/C15H30/c1-6-7-8-9-13-10-14(13)12(2)11-15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyRGRMIMDDFRMKSK-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
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-butyl-2-pentan-2-ylcyclopropane
CID 90836008
(2-octylcyclopropyl)methanediol
CID 165392128
1-[8-[4,4-dimethyl-1-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]pentan-2-yl]oxyoctyl]-2-[(2-pentylcyclopropyl)methyl]cyclopropane
CID 166495413
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol
CID 138980510
5-(2-butan-2-ylcyclopropyl)-N-methylpentan-1-amine
CID 155441990
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane?
The IUPAC name of 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane (CID 91373966) is 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane.
What is the SMILES notation for 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane?
The canonical SMILES for 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane is CCCCCC1CC1C(C)CC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane?
The InChIKey is RGRMIMDDFRMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-7-8-9-13-10-14(13)12(2)11-15(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane?
1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane is sourced from PubChem (CID 91373966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).