(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene

C19H32 — CID 163748549

IUPAC(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene
SMILESCC1CCCC2CC3CC3CCCCCCC/C=C/12
InChIInChI=1S/C19H32/c1-15-9-8-11-17-14-18-13-16(18)10-6-4-2-3-5-7-12-19(15)17/h12,15-18H,2-11,13-14H2,1H3/b19-12-
InChIKeyLNZMBYZBXJHGLK-UNOMPAQXSA-N
MW260.46 g/mol
LogP6.12
Rot. Bonds

About (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene

(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene (PubChem CID 163748549) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene.

Molecular Properties

Compound Name(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene
PubChem CID163748549
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene
SMILESCC1CCCC2CC3CC3CCCCCCC/C=C/12
InChIInChI=1S/C19H32/c1-15-9-8-11-17-14-18-13-16(18)10-6-4-2-3-5-7-12-19(15)17/h12,15-18H,2-11,13-14H2,1H3/b19-12-
InChIKeyLNZMBYZBXJHGLK-UNOMPAQXSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
CID 143696880
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
(5E)-bicyclo[9.1.0]dodec-5-ene
CID 144561287
1,7-dimethylcycloheptene
CID 13493194
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054

Frequently Asked Questions

What is the IUPAC name of (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene?
The IUPAC name of (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene (CID 163748549) is (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene.
What is the SMILES notation for (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene?
The canonical SMILES for (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene is CC1CCCC2CC3CC3CCCCCCC/C=C/12.
What is the InChIKey of (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene?
The InChIKey is LNZMBYZBXJHGLK-UNOMPAQXSA-N. The full InChI is InChI=1S/C19H32/c1-15-9-8-11-17-14-18-13-16(18)10-6-4-2-3-5-7-12-19(15)17/h12,15-18H,2-11,13-14H2,1H3/b19-12-.
What are the key properties of (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene?
(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene has a molecular weight of 260.46 g/mol, XLogP of 6.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene is sourced from PubChem (CID 163748549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).