4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane

C18H28 — CID 156753274

IUPAC4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane
SMILESC=C(C)CC1CC2C3CC(CC(=C)C)C(C3)C2C1
InChIInChI=1S/C18H28/c1-11(2)5-13-7-16-15-9-14(6-12(3)4)17(10-15)18(16)8-13/h13-18H,1,3,5-10H2,2,4H3
InChIKeyJIQJXDQHXHTKDA-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.22
Rot. Bonds4

About 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane

4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane (PubChem CID 156753274) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane
PubChem CID156753274
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane
SMILESC=C(C)CC1CC2C3CC(CC(=C)C)C(C3)C2C1
InChIInChI=1S/C18H28/c1-11(2)5-13-7-16-15-9-14(6-12(3)4)17(10-15)18(16)8-13/h13-18H,1,3,5-10H2,2,4H3
InChIKeyJIQJXDQHXHTKDA-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.22
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,2S,4R,6R,7R,8S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 121488643
[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 170200761
2-(2-methylidenebutyl)bicyclo[2.1.0]pentane
CID 123554631
decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol
CID 159531057
1,2-dimethyl-3-(2-methylprop-2-enyl)cyclobutane
CID 123385938
(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
CID 126489359
[4-(nitrosomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 118501069
1,4-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123213374
[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-methoxybut-2-enoate
CID 139788272
[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 20676849
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 124925910
2-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enoic acid
CID 18471734

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane (CID 156753274) is 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane is C=C(C)CC1CC2C3CC(CC(=C)C)C(C3)C2C1.
What is the InChIKey of 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane?
The InChIKey is JIQJXDQHXHTKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-11(2)5-13-7-16-15-9-14(6-12(3)4)17(10-15)18(16)8-13/h13-18H,1,3,5-10H2,2,4H3.
What are the key properties of 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane?
4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane has a molecular weight of 244.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 156753274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).