4-butan-2-yl-3-methyl-4-propylnonane

C17H36 — CID 123540962

IUPAC4-butan-2-yl-3-methyl-4-propylnonane
SMILESCCCCCC(CCC)(C(C)CC)C(C)CC
InChIInChI=1S/C17H36/c1-7-11-12-14-17(13-8-2,15(5)9-3)16(6)10-4/h15-16H,7-14H2,1-6H3
InChIKeyVLVYVPCXUWCTSA-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds10

About 4-butan-2-yl-3-methyl-4-propylnonane

4-butan-2-yl-3-methyl-4-propylnonane (PubChem CID 123540962) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 4-butan-2-yl-3-methyl-4-propylnonane.

Molecular Properties

Compound Name4-butan-2-yl-3-methyl-4-propylnonane
PubChem CID123540962
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name4-butan-2-yl-3-methyl-4-propylnonane
SMILESCCCCCC(CCC)(C(C)CC)C(C)CC
InChIInChI=1S/C17H36/c1-7-11-12-14-17(13-8-2,15(5)9-3)16(6)10-4/h15-16H,7-14H2,1-6H3
InChIKeyVLVYVPCXUWCTSA-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10,10-di(propan-2-yl)octacosane
CID 152510996
3,4-dimethyl-5-propan-2-yl-5-propylnonane
CID 173277226
3,3-dihexylpentane-2,4-diol
CID 21414890
4-methyl-4-propylnonane
CID 54241684
6-ethyl-7,7,8-tripentyltridecane
CID 173380520
3-ethyl-5,6,6-trimethyldecane
CID 123403358
6,6-bis(2-ethylbutyl)undecane
CID 174469307
6-ethyl-3,4-dimethyl-4-propyldecane
CID 123655302
6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane
CID 173426717
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
3-methyl-3-propyloctan-2-ol
CID 20501793

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-methyl-4-propylnonane?
The IUPAC name of 4-butan-2-yl-3-methyl-4-propylnonane (CID 123540962) is 4-butan-2-yl-3-methyl-4-propylnonane.
What is the SMILES notation for 4-butan-2-yl-3-methyl-4-propylnonane?
The canonical SMILES for 4-butan-2-yl-3-methyl-4-propylnonane is CCCCCC(CCC)(C(C)CC)C(C)CC.
What is the InChIKey of 4-butan-2-yl-3-methyl-4-propylnonane?
The InChIKey is VLVYVPCXUWCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-11-12-14-17(13-8-2,15(5)9-3)16(6)10-4/h15-16H,7-14H2,1-6H3.
What are the key properties of 4-butan-2-yl-3-methyl-4-propylnonane?
4-butan-2-yl-3-methyl-4-propylnonane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-methyl-4-propylnonane is sourced from PubChem (CID 123540962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).