4,5,5-trimethylheptylcyclopropane

C13H26 — CID 123484430

IUPAC4,5,5-trimethylheptylcyclopropane
SMILESCCC(C)(C)C(C)CCCC1CC1
InChIInChI=1S/C13H26/c1-5-13(3,4)11(2)7-6-8-12-9-10-12/h11-12H,5-10H2,1-4H3
InChIKeyIQIIJULAKSZKCV-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds6

About 4,5,5-trimethylheptylcyclopropane

4,5,5-trimethylheptylcyclopropane (PubChem CID 123484430) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4,5,5-trimethylheptylcyclopropane.

Molecular Properties

Compound Name4,5,5-trimethylheptylcyclopropane
PubChem CID123484430
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4,5,5-trimethylheptylcyclopropane
SMILESCCC(C)(C)C(C)CCCC1CC1
InChIInChI=1S/C13H26/c1-5-13(3,4)11(2)7-6-8-12-9-10-12/h11-12H,5-10H2,1-4H3
InChIKeyIQIIJULAKSZKCV-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-cyclopropylpentan-2-ol
CID 67118909
[2-(2-cyclopropylethyl)-3,3-dimethylpentyl]cyclopropane
CID 173203928
4-methylpentylcyclopentane
CID 523530
7-methylnonylcyclopropane
CID 123906260
N,3,4,4-tetramethylhexan-1-amine
CID 138576801
(5-ethyl-5-methylheptyl)cyclopropane
CID 123293142
ethane;heptane;3,4,4-trimethyloctylcyclopentane
CID 142984263
hexane;pentylcyclopropane
CID 159592467
3-methylpentylcyclopropane
CID 56979389
9,10-dimethylidene-2-(3,7,8,8-tetramethyldecan-3-yl)-6-(3,7,8,8-tetramethylnonan-3-yl)-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene
CID 123869913
1-(4-iodoheptyl)-4-methylcyclohexane
CID 118203384
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethylheptylcyclopropane?
The IUPAC name of 4,5,5-trimethylheptylcyclopropane (CID 123484430) is 4,5,5-trimethylheptylcyclopropane.
What is the SMILES notation for 4,5,5-trimethylheptylcyclopropane?
The canonical SMILES for 4,5,5-trimethylheptylcyclopropane is CCC(C)(C)C(C)CCCC1CC1.
What is the InChIKey of 4,5,5-trimethylheptylcyclopropane?
The InChIKey is IQIIJULAKSZKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-13(3,4)11(2)7-6-8-12-9-10-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 4,5,5-trimethylheptylcyclopropane?
4,5,5-trimethylheptylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethylheptylcyclopropane is sourced from PubChem (CID 123484430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).