(8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane

C39H70 — CID 57194360

IUPAC(8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane
SMILESC=CCCCCCC(C1CCC1)(C1CC1)C(C1CCCCC1)(C1CCCC1)C(C)(CC)C(CCC)CCCC
InChIInChI=1S/C39H70/c1-6-10-12-13-19-31-38(34-29-30-34,33-27-20-28-33)39(36-25-17-18-26-36,35-23-15-14-16-24-35)37(5,9-4)32(21-8-3)22-11-7-2/h6,32-36H,1,7-31H2,2-5H3
InChIKeyMMYLZFQYHZJFHK-UHFFFAOYSA-N
MW538.99 g/mol
LogP13.10
Rot. Bonds19

About (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane

(8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane (PubChem CID 57194360) has the molecular formula C39H70 and a molecular weight of 538.99 g/mol. Its IUPAC name is (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane.

Molecular Properties

Compound Name(8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane
PubChem CID57194360
Molecular FormulaC39H70
Molecular Weight538.99 g/mol
Exact Mass538.55
IUPAC Name(8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane
SMILESC=CCCCCCC(C1CCC1)(C1CC1)C(C1CCCCC1)(C1CCCC1)C(C)(CC)C(CCC)CCCC
InChIInChI=1S/C39H70/c1-6-10-12-13-19-31-38(34-29-30-34,33-27-20-28-33)39(36-25-17-18-26-36,35-23-15-14-16-24-35)37(5,9-4)32(21-8-3)22-11-7-2/h6,32-36H,1,7-31H2,2-5H3
InChIKeyMMYLZFQYHZJFHK-UHFFFAOYSA-N
XLogP13.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane?
The IUPAC name of (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane (CID 57194360) is (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane.
What is the SMILES notation for (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane?
The canonical SMILES for (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane is C=CCCCCCC(C1CCC1)(C1CC1)C(C1CCCCC1)(C1CCCC1)C(C)(CC)C(CCC)CCCC.
What is the InChIKey of (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane?
The InChIKey is MMYLZFQYHZJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H70/c1-6-10-12-13-19-31-38(34-29-30-34,33-27-20-28-33)39(36-25-17-18-26-36,35-23-15-14-16-24-35)37(5,9-4)32(21-8-3)22-11-7-2/h6,32-36H,1,7-31H2,2-5H3.
What are the key properties of (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane?
(8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane has a molecular weight of 538.99 g/mol, XLogP of 13.10, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclobutyl-7-cyclopentyl-8-cyclopropyl-6-ethyl-6-methyl-5-propylpentadec-14-en-7-yl)cyclohexane is sourced from PubChem (CID 57194360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).