7-butan-2-yl-4-propylundecane

C18H38 — CID 123685614

IUPAC7-butan-2-yl-4-propylundecane
SMILESCCCCC(CCC(CCC)CCC)C(C)CC
InChIInChI=1S/C18H38/c1-6-10-13-18(16(5)9-4)15-14-17(11-7-2)12-8-3/h16-18H,6-15H2,1-5H3
InChIKeyAMKAVSIJQLFSMQ-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds12

About 7-butan-2-yl-4-propylundecane

7-butan-2-yl-4-propylundecane (PubChem CID 123685614) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 7-butan-2-yl-4-propylundecane.

Molecular Properties

Compound Name7-butan-2-yl-4-propylundecane
PubChem CID123685614
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name7-butan-2-yl-4-propylundecane
SMILESCCCCC(CCC(CCC)CCC)C(C)CC
InChIInChI=1S/C18H38/c1-6-10-13-18(16(5)9-4)15-14-17(11-7-2)12-8-3/h16-18H,6-15H2,1-5H3
InChIKeyAMKAVSIJQLFSMQ-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yloctan-1-ol
CID 57029732
4,5-dipropylnonane;5-propylnonane
CID 157465342
4,5-diethylnonane
CID 21188862
3,4,9-trimethyl-8-propylundecane
CID 90901381
8-propan-2-yl-11-propyloctadecane
CID 123538924
(5R)-2-methyl-5-propylnonane
CID 162842430
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
6-butyl-3,7-dimethylundecane
CID 123359248
8-butan-2-yl-4-methyltetradecane
CID 123224994
16-butan-2-ylhexacos-6-yne
CID 22223780
5-ethylnonane;5-propylnonane
CID 157441807
methane;4-propyloctane
CID 160687994

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-4-propylundecane?
The IUPAC name of 7-butan-2-yl-4-propylundecane (CID 123685614) is 7-butan-2-yl-4-propylundecane.
What is the SMILES notation for 7-butan-2-yl-4-propylundecane?
The canonical SMILES for 7-butan-2-yl-4-propylundecane is CCCCC(CCC(CCC)CCC)C(C)CC.
What is the InChIKey of 7-butan-2-yl-4-propylundecane?
The InChIKey is AMKAVSIJQLFSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-10-13-18(16(5)9-4)15-14-17(11-7-2)12-8-3/h16-18H,6-15H2,1-5H3.
What are the key properties of 7-butan-2-yl-4-propylundecane?
7-butan-2-yl-4-propylundecane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-4-propylundecane is sourced from PubChem (CID 123685614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).