1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane

C30H60 — CID 178080856

IUPAC1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane
SMILESCCCC(CCCCC(CC)CCCCCCCC(C)CC)CC1CCCC(C)C1
InChIInChI=1S/C30H60/c1-6-17-29(25-30-23-16-19-27(5)24-30)22-15-14-21-28(8-3)20-13-11-9-10-12-18-26(4)7-2/h26-30H,6-25H2,1-5H3
InChIKeyCDPPQKVXARNZDA-UHFFFAOYSA-N
MW420.81 g/mol
LogP10.98
Rot. Bonds19

About 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane

1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane (PubChem CID 178080856) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane
PubChem CID178080856
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane
SMILESCCCC(CCCCC(CC)CCCCCCCC(C)CC)CC1CCCC(C)C1
InChIInChI=1S/C30H60/c1-6-17-29(25-30-23-16-19-27(5)24-30)22-15-14-21-28(8-3)20-13-11-9-10-12-18-26(4)7-2/h26-30H,6-25H2,1-5H3
InChIKeyCDPPQKVXARNZDA-UHFFFAOYSA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.98
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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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane?
The IUPAC name of 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane (CID 178080856) is 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane.
What is the SMILES notation for 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane?
The canonical SMILES for 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane is CCCC(CCCCC(CC)CCCCCCCC(C)CC)CC1CCCC(C)C1.
What is the InChIKey of 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane?
The InChIKey is CDPPQKVXARNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60/c1-6-17-29(25-30-23-16-19-27(5)24-30)22-15-14-21-28(8-3)20-13-11-9-10-12-18-26(4)7-2/h26-30H,6-25H2,1-5H3.
What are the key properties of 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane?
1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane has a molecular weight of 420.81 g/mol, XLogP of 10.98, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane is sourced from PubChem (CID 178080856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).