2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane

C21H44 — CID 58764501

IUPAC2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C21H44/c1-15(2)17(5,6)19(9,10)21(13,14)20(11,12)18(7,8)16(3)4/h15-16H,1-14H3
InChIKeyJIVMARVWTBBLTF-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.43
Rot. Bonds6

About 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane

2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane (PubChem CID 58764501) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
PubChem CID58764501
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C21H44/c1-15(2)17(5,6)19(9,10)21(13,14)20(11,12)18(7,8)16(3)4/h15-16H,1-14H3
InChIKeyJIVMARVWTBBLTF-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane
CID 131634125
2,4,4,5-tetramethyl-3-propan-2-ylhexan-3-ol
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CID 174068229
CID 174068229
methyl(2,3,3,4-tetramethylpentan-2-yl)phosphane
CID 123551419
3,3,4,4,5-pentamethylhex-1-ene
CID 23384855
2,2,3,3,4-pentamethylpentanal
CID 87784908
4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane
CID 137490874
2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane
CID 67548515
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,2-dibromo-3-methylbutane
CID 13047634

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane (CID 58764501) is 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane is CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane?
The InChIKey is JIVMARVWTBBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-15(2)17(5,6)19(9,10)21(13,14)20(11,12)18(7,8)16(3)4/h15-16H,1-14H3.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane?
2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane has a molecular weight of 296.58 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane is sourced from PubChem (CID 58764501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).