5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane

C18H38 — CID 123644711

IUPAC5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
SMILESCCC(CC)(C(C)C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C18H38/c1-12-18(13-2,14(3)4)17(10,11)16(8,9)15(5,6)7/h14H,12-13H2,1-11H3
InChIKeyPWUDFKJRTZHPBE-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds5

About 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane

5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane (PubChem CID 123644711) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane.

Molecular Properties

Compound Name5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
PubChem CID123644711
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
SMILESCCC(CC)(C(C)C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C18H38/c1-12-18(13-2,14(3)4)17(10,11)16(8,9)15(5,6)7/h14H,12-13H2,1-11H3
InChIKeyPWUDFKJRTZHPBE-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
CID 57491483
2,2,3,3,4,4,5,5,6-nonamethylheptane
CID 18709544
2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane
CID 158030577
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
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
CID 123795334
2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
CID 165099298
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
3-bromo-2,3-dimethylpentane
CID 54167618
2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
CID 58764501
5-ethyl-2,2,3,3,5,6-hexamethylheptane
CID 123276351

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane?
The IUPAC name of 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane (CID 123644711) is 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane.
What is the SMILES notation for 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane?
The canonical SMILES for 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane is CCC(CC)(C(C)C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane?
The InChIKey is PWUDFKJRTZHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-12-18(13-2,14(3)4)17(10,11)16(8,9)15(5,6)7/h14H,12-13H2,1-11H3.
What are the key properties of 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane?
5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane is sourced from PubChem (CID 123644711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).