3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane

C27H56 — CID 123187307

IUPAC3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane
SMILESCCC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C27H56/c1-18-21(4,5)25(12,13)23(8,9)20(3)24(10,11)27(16,17)26(14,15)22(6,7)19-2/h20H,18-19H2,1-17H3
InChIKeyVFJRZGDYRRZFCB-UHFFFAOYSA-N
MW380.75 g/mol
LogP9.63
Rot. Bonds9

About 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane

3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane (PubChem CID 123187307) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane
PubChem CID123187307
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane
SMILESCCC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C27H56/c1-18-21(4,5)25(12,13)23(8,9)20(3)24(10,11)27(16,17)26(14,15)22(6,7)19-2/h20H,18-19H2,1-17H3
InChIKeyVFJRZGDYRRZFCB-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3,3,4,4,5,5-hexamethylheptane
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(3S)-4,4-diiodo-2,2,3,5,5,6,6-heptamethyloctane
CID 118200534
2,2,3,3,4,4-hexamethylhexane;2,2,3,4,4-pentamethyl-3-propan-2-ylhexane
CID 158030577
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane
CID 123137487
2,3,3,4,4-pentamethylhexanenitrile
CID 152991691
3-amino-3-methylpentan-2-ol
CID 159077240
azane;3-methylpentane-2,3-diamine
CID 174323665
3,4,4-trimethylhexane-2,3-diol
CID 67159588
4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
CID 123480533

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane (CID 123187307) is 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane is CCC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane?
The InChIKey is VFJRZGDYRRZFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-18-21(4,5)25(12,13)23(8,9)20(3)24(10,11)27(16,17)26(14,15)22(6,7)19-2/h20H,18-19H2,1-17H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane?
3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane has a molecular weight of 380.75 g/mol, XLogP of 9.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-pentadecamethyldodecane is sourced from PubChem (CID 123187307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).