1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane

C15H24 — CID 57227275

IUPAC1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
SMILESC=C(C)CCCC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h11-13H,1,5-9H2,2-4H3
InChIKeyRYQFMBOURXSAAF-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds4

About 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane

1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane (PubChem CID 57227275) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
PubChem CID57227275
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
SMILESC=C(C)CCCC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h11-13H,1,5-9H2,2-4H3
InChIKeyRYQFMBOURXSAAF-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.41
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

(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol
CID 14345658
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
3-[(1S,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propanal
CID 23228573
(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
CID 97289307
3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
CID 15433328
[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
CID 67159508
(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 98125613
1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 84820832
2-[(1S,2S,3R)-3-hydroxy-1,2-dimethyl-2-(4-methylpent-4-enyl)cyclopentyl]acetonitrile
CID 56593751
[(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-enyl] butanoate
CID 6437243
2,14-dimethylpentadeca-1,14-diene
CID 123962057

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane?
The IUPAC name of 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane (CID 57227275) is 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane?
The canonical SMILES for 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane is C=C(C)CCCC1(C)C2CC3C(C2)C31C.
What is the InChIKey of 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane?
The InChIKey is RYQFMBOURXSAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane?
1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane has a molecular weight of 204.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 57227275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).