4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene

C17H24 — CID 90814993

IUPAC4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
SMILESCC1=CC2CC1C1C3C(C)C(C4CCCC43)C21
InChIInChI=1S/C17H24/c1-8-6-10-7-13(8)17-15-9(2)14(16(10)17)11-4-3-5-12(11)15/h6,9-17H,3-5,7H2,1-2H3
InChIKeySNTHBQHPOYATJX-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.13
Rot. Bonds

About 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene

4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene (PubChem CID 90814993) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene.

Molecular Properties

Compound Name4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
PubChem CID90814993
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
SMILESCC1=CC2CC1C1C3C(C)C(C4CCCC43)C21
InChIInChI=1S/C17H24/c1-8-6-10-7-13(8)17-15-9(2)14(16(10)17)11-4-3-5-12(11)15/h6,9-17H,3-5,7H2,1-2H3
InChIKeySNTHBQHPOYATJX-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
The IUPAC name of 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene (CID 90814993) is 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene.
What is the SMILES notation for 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
The canonical SMILES for 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene is CC1=CC2CC1C1C3C(C)C(C4CCCC43)C21.
What is the InChIKey of 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
The InChIKey is SNTHBQHPOYATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-8-6-10-7-13(8)17-15-9(2)14(16(10)17)11-4-3-5-12(11)15/h6,9-17H,3-5,7H2,1-2H3.
What are the key properties of 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene has a molecular weight of 228.38 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene is sourced from PubChem (CID 90814993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).