3,3,4-trimethyl-5-propan-2-yloctane

C14H30 — CID 57492714

IUPAC3,3,4-trimethyl-5-propan-2-yloctane
SMILESCCCC(C(C)C)C(C)C(C)(C)CC
InChIInChI=1S/C14H30/c1-8-10-13(11(3)4)12(5)14(6,7)9-2/h11-13H,8-10H2,1-7H3
InChIKeyCUYZEGRRMCNCQV-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds6

About 3,3,4-trimethyl-5-propan-2-yloctane

3,3,4-trimethyl-5-propan-2-yloctane (PubChem CID 57492714) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,3,4-trimethyl-5-propan-2-yloctane.

Molecular Properties

Compound Name3,3,4-trimethyl-5-propan-2-yloctane
PubChem CID57492714
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,3,4-trimethyl-5-propan-2-yloctane
SMILESCCCC(C(C)C)C(C)C(C)(C)CC
InChIInChI=1S/C14H30/c1-8-10-13(11(3)4)12(5)14(6,7)9-2/h11-13H,8-10H2,1-7H3
InChIKeyCUYZEGRRMCNCQV-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
CID 123138590
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane
CID 123961694
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
5-ethyl-3,3,4-trimethylnonane
CID 57492068
3,3,4,5-tetramethyldodecane
CID 175562493
2-bromo-3-propan-2-ylhexane
CID 63472075
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
CID 123540393
2,3,5,6,7,7-hexamethylnonane
CID 123984490
4-methanidyl-5-propan-2-yloctane
CID 90920919
5-propan-2-yloctan-4-ol
CID 23385171

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-5-propan-2-yloctane?
The IUPAC name of 3,3,4-trimethyl-5-propan-2-yloctane (CID 57492714) is 3,3,4-trimethyl-5-propan-2-yloctane.
What is the SMILES notation for 3,3,4-trimethyl-5-propan-2-yloctane?
The canonical SMILES for 3,3,4-trimethyl-5-propan-2-yloctane is CCCC(C(C)C)C(C)C(C)(C)CC.
What is the InChIKey of 3,3,4-trimethyl-5-propan-2-yloctane?
The InChIKey is CUYZEGRRMCNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-8-10-13(11(3)4)12(5)14(6,7)9-2/h11-13H,8-10H2,1-7H3.
What are the key properties of 3,3,4-trimethyl-5-propan-2-yloctane?
3,3,4-trimethyl-5-propan-2-yloctane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-5-propan-2-yloctane is sourced from PubChem (CID 57492714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).