4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane

C29H64 — CID 142520741

IUPAC4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
SMILESCC.CCCC(C)C(CC)CC(C(C)CC)C(C)C(C)C.CCCC(C)CCC
InChIInChI=1S/C19H40.C8H18.C2H6/c1-9-12-16(7)18(11-3)13-19(15(6)10-2)17(8)14(4)5;1-4-6-8(3)7-5-2;1-2/h14-19H,9-13H2,1-8H3;8H,4-7H2,1-3H3;1-2H3
InChIKeyMFBRDZKXVHUKEC-UHFFFAOYSA-N
MW412.83 g/mol
LogP11.04
Rot. Bonds14

About 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane

4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane (PubChem CID 142520741) has the molecular formula C29H64 and a molecular weight of 412.83 g/mol. Its IUPAC name is 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane.

Molecular Properties

Compound Name4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
PubChem CID142520741
Molecular FormulaC29H64
Molecular Weight412.83 g/mol
Exact Mass412.50
IUPAC Name4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
SMILESCC.CCCC(C)C(CC)CC(C(C)CC)C(C)C(C)C.CCCC(C)CCC
InChIInChI=1S/C19H40.C8H18.C2H6/c1-9-12-16(7)18(11-3)13-19(15(6)10-2)17(8)14(4)5;1-4-6-8(3)7-5-2;1-2/h14-19H,9-13H2,1-8H3;8H,4-7H2,1-3H3;1-2H3
InChIKeyMFBRDZKXVHUKEC-UHFFFAOYSA-N
XLogP11.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.83
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2,3,5,7-tetramethyldecane
CID 123162737
ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
CID 142337955
6-ethyl-4,7-dimethylundecane
CID 123910768
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
3,4-diethylheptane;ethane
CID 144734225
4-methylheptane;propane
CID 142171269
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
4-methylheptane
CID 91413347

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane?
The IUPAC name of 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane (CID 142520741) is 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane.
What is the SMILES notation for 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane?
The canonical SMILES for 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane is CC.CCCC(C)C(CC)CC(C(C)CC)C(C)C(C)C.CCCC(C)CCC.
What is the InChIKey of 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane?
The InChIKey is MFBRDZKXVHUKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40.C8H18.C2H6/c1-9-12-16(7)18(11-3)13-19(15(6)10-2)17(8)14(4)5;1-4-6-8(3)7-5-2;1-2/h14-19H,9-13H2,1-8H3;8H,4-7H2,1-3H3;1-2H3.
What are the key properties of 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane?
4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane has a molecular weight of 412.83 g/mol, XLogP of 11.04, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane is sourced from PubChem (CID 142520741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).