(10-methyl-2,4-dipropylhexadecyl)cyclobutane

C27H54 — CID 123528553

IUPAC(10-methyl-2,4-dipropylhexadecyl)cyclobutane
SMILESCCCCCCC(C)CCCCCC(CCC)CC(CCC)CC1CCC1
InChIInChI=1S/C27H54/c1-5-8-9-11-17-24(4)18-12-10-13-19-25(15-6-2)22-27(16-7-3)23-26-20-14-21-26/h24-27H,5-23H2,1-4H3
InChIKeyUVZGFHACTCVSBL-UHFFFAOYSA-N
MW378.73 g/mol
LogP9.96
Rot. Bonds19

About (10-methyl-2,4-dipropylhexadecyl)cyclobutane

(10-methyl-2,4-dipropylhexadecyl)cyclobutane (PubChem CID 123528553) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is (10-methyl-2,4-dipropylhexadecyl)cyclobutane.

Molecular Properties

Compound Name(10-methyl-2,4-dipropylhexadecyl)cyclobutane
PubChem CID123528553
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name(10-methyl-2,4-dipropylhexadecyl)cyclobutane
SMILESCCCCCCC(C)CCCCCC(CCC)CC(CCC)CC1CCC1
InChIInChI=1S/C27H54/c1-5-8-9-11-17-24(4)18-12-10-13-19-25(15-6-2)22-27(16-7-3)23-26-20-14-21-26/h24-27H,5-23H2,1-4H3
InChIKeyUVZGFHACTCVSBL-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 59.96
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

6-methyl-8-propylhexadecane
CID 91357269
8-methyl-6-propyltetradecane
CID 90964105
6-methyl-8-propylpentadecane
CID 90954253
2-propylpentylcyclobutane
CID 123848725
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
2-methyltridecylcyclopropane
CID 123424034
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
7-butyl-9-propylhexadecane
CID 91502397
9-butyl-7-propylheptadecane
CID 91567761
1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane
CID 178080856

Frequently Asked Questions

What is the IUPAC name of (10-methyl-2,4-dipropylhexadecyl)cyclobutane?
The IUPAC name of (10-methyl-2,4-dipropylhexadecyl)cyclobutane (CID 123528553) is (10-methyl-2,4-dipropylhexadecyl)cyclobutane.
What is the SMILES notation for (10-methyl-2,4-dipropylhexadecyl)cyclobutane?
The canonical SMILES for (10-methyl-2,4-dipropylhexadecyl)cyclobutane is CCCCCCC(C)CCCCCC(CCC)CC(CCC)CC1CCC1.
What is the InChIKey of (10-methyl-2,4-dipropylhexadecyl)cyclobutane?
The InChIKey is UVZGFHACTCVSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54/c1-5-8-9-11-17-24(4)18-12-10-13-19-25(15-6-2)22-27(16-7-3)23-26-20-14-21-26/h24-27H,5-23H2,1-4H3.
What are the key properties of (10-methyl-2,4-dipropylhexadecyl)cyclobutane?
(10-methyl-2,4-dipropylhexadecyl)cyclobutane has a molecular weight of 378.73 g/mol, XLogP of 9.96, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-2,4-dipropylhexadecyl)cyclobutane is sourced from PubChem (CID 123528553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).