ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene

C18H32 — CID 145186061

IUPACethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene
SMILESCC.CC.CC1CCC2C(C1)C1C3CC=CC3C21
InChIInChI=1S/C14H20.2C2H6/c1-8-5-6-11-12(7-8)14-10-4-2-3-9(10)13(11)14;2*1-2/h2-3,8-14H,4-7H2,1H3;2*1-2H3
InChIKeyNLWOWZWLWOPKSA-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.54
Rot. Bonds

About ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene

ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene (PubChem CID 145186061) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene.

Molecular Properties

Compound Nameethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene
PubChem CID145186061
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene
SMILESCC.CC.CC1CCC2C(C1)C1C3CC=CC3C21
InChIInChI=1S/C14H20.2C2H6/c1-8-5-6-11-12(7-8)14-10-4-2-3-9(10)13(11)14;2*1-2/h2-3,8-14H,4-7H2,1H3;2*1-2H3
InChIKeyNLWOWZWLWOPKSA-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.54
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

4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene
CID 145186062
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 90983654
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 11768627
(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 98044947
2-[(1R,5S,6S)-6-bicyclo[3.1.0]hex-2-enyl]-5,5-dimethyl-1,3-dioxane
CID 98200250
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene?
The IUPAC name of ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene (CID 145186061) is ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene.
What is the SMILES notation for ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene?
The canonical SMILES for ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene is CC.CC.CC1CCC2C(C1)C1C3CC=CC3C21.
What is the InChIKey of ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene?
The InChIKey is NLWOWZWLWOPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.2C2H6/c1-8-5-6-11-12(7-8)14-10-4-2-3-9(10)13(11)14;2*1-2/h2-3,8-14H,4-7H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene?
ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene has a molecular weight of 248.45 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyltetracyclo[6.5.0.02,7.09,13]tridec-10-ene is sourced from PubChem (CID 145186061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).