8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene

C16H26 — CID 174060395

IUPAC8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene
SMILESC=CC1C(=C)CCC2C1CCC(C)C2(C)C
InChIInChI=1S/C16H26/c1-6-13-11(2)7-10-15-14(13)9-8-12(3)16(15,4)5/h6,12-15H,1-2,7-10H2,3-5H3
InChIKeyHJXBMSMMIKHOTA-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.83
Rot. Bonds1

About 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene

8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene (PubChem CID 174060395) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene
PubChem CID174060395
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene
SMILESC=CC1C(=C)CCC2C1CCC(C)C2(C)C
InChIInChI=1S/C16H26/c1-6-13-11(2)7-10-15-14(13)9-8-12(3)16(15,4)5/h6,12-15H,1-2,7-10H2,3-5H3
InChIKeyHJXBMSMMIKHOTA-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
The IUPAC name of 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene (CID 174060395) is 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene.
What is the SMILES notation for 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
The canonical SMILES for 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene is C=CC1C(=C)CCC2C1CCC(C)C2(C)C.
What is the InChIKey of 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
The InChIKey is HJXBMSMMIKHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-6-13-11(2)7-10-15-14(13)9-8-12(3)16(15,4)5/h6,12-15H,1-2,7-10H2,3-5H3.
What are the key properties of 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene has a molecular weight of 218.38 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-3,4,4-trimethyl-7-methylidene-1,2,3,4a,5,6,8,8a-octahydronaphthalene is sourced from PubChem (CID 174060395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).