2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane

C26H56 — CID 158030577

IUPAC2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane
SMILESCCC(C)(C)C(C)(C(C)C)C(C)(C)C.CCC(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C14H30.C12H26/c1-10-13(7,8)14(9,11(2)3)12(4,5)6;1-9-11(5,6)12(7,8)10(2,3)4/h11H,10H2,1-9H3;9H2,1-8H3
InChIKeyFHDBMKSCQFVCIN-UHFFFAOYSA-N
MW368.73 g/mol
LogP9.63
Rot. Bonds5

About 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane

2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane (PubChem CID 158030577) has the molecular formula C26H56 and a molecular weight of 368.73 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane
PubChem CID158030577
Molecular FormulaC26H56
Molecular Weight368.73 g/mol
Exact Mass368.44
IUPAC Name2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane
SMILESCCC(C)(C)C(C)(C(C)C)C(C)(C)C.CCC(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C14H30.C12H26/c1-10-13(7,8)14(9,11(2)3)12(4,5)6;1-9-11(5,6)12(7,8)10(2,3)4/h11H,10H2,1-9H3;9H2,1-8H3
InChIKeyFHDBMKSCQFVCIN-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.73
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane with MolForge

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Related Compounds

3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
3,3,4,4,5,5-hexamethylheptane
CID 22899431
2,2,3,3,4,4,6,6,7,7-decamethylnonane
CID 123949494
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
2,3,3,4,5,5,6,6,7,7-decamethylnonane
CID 123742035
5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
CID 123644711
(12S)-12-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,14,14-pentacosamethylhexadecane
CID 123648575
3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane
CID 123187307
(3S)-4,4-diiodo-2,2,3,5,5,6,6-heptamethyloctane
CID 118200534
4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
CID 123480533
5-ethyl-2,2,3,3,5,6-hexamethylheptane
CID 123276351
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,16,16,17-nonacosamethyloctadecane
CID 22959923

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane?
The IUPAC name of 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane (CID 158030577) is 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane.
What is the SMILES notation for 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane?
The canonical SMILES for 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane is CCC(C)(C)C(C)(C(C)C)C(C)(C)C.CCC(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane?
The InChIKey is FHDBMKSCQFVCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C12H26/c1-10-13(7,8)14(9,11(2)3)12(4,5)6;1-9-11(5,6)12(7,8)10(2,3)4/h11H,10H2,1-9H3;9H2,1-8H3.
What are the key properties of 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane?
2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane has a molecular weight of 368.73 g/mol, XLogP of 9.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane is sourced from PubChem (CID 158030577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).