3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane

C19H40 — CID 91329913

IUPAC3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane
SMILESCCC(C(C(C)C)C(CC(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C19H40/c1-11-17(19(8,9)10)18(15(6)7)16(14(4)5)12-13(2)3/h13-18H,11-12H2,1-10H3
InChIKeyOYOYLSHOPUGTFB-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.65
Rot. Bonds7

About 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane

3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane (PubChem CID 91329913) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane.

Molecular Properties

Compound Name3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane
PubChem CID91329913
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane
SMILESCCC(C(C(C)C)C(CC(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C19H40/c1-11-17(19(8,9)10)18(15(6)7)16(14(4)5)12-13(2)3/h13-18H,11-12H2,1-10H3
InChIKeyOYOYLSHOPUGTFB-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
propane;2,4,6-trimethylheptane
CID 165013878
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
3-ethyl-2,2,4-trimethylheptane
CID 22354769
3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
CID 123194726
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
2,4-dimethylhexane;propane
CID 143348383
2,4,6-trimethyl-3-propan-2-ylheptane
CID 57491411
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane?
The IUPAC name of 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane (CID 91329913) is 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane.
What is the SMILES notation for 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane?
The canonical SMILES for 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane is CCC(C(C(C)C)C(CC(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane?
The InChIKey is OYOYLSHOPUGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-11-17(19(8,9)10)18(15(6)7)16(14(4)5)12-13(2)3/h13-18H,11-12H2,1-10H3.
What are the key properties of 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane?
3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane has a molecular weight of 268.53 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane is sourced from PubChem (CID 91329913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).