(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene

C15H24 — CID 24773290

IUPAC(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)CC1=C[C@@H]2C[C@H]1C=C2CC(C)C
InChIInChI=1S/C15H24/c1-10(2)5-12-7-15-9-14(12)8-13(15)6-11(3)4/h7-8,10-11,14-15H,5-6,9H2,1-4H3/t14-,15-/m1/s1
InChIKeyMLXIFKCIAWBFMW-HUUCEWRRSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds4

About (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene

(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 24773290) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID24773290
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)CC1=C[C@@H]2C[C@H]1C=C2CC(C)C
InChIInChI=1S/C15H24/c1-10(2)5-12-7-15-9-14(12)8-13(15)6-11(3)4/h7-8,10-11,14-15H,5-6,9H2,1-4H3/t14-,15-/m1/s1
InChIKeyMLXIFKCIAWBFMW-HUUCEWRRSA-N
XLogP4.58
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 ≤ 54.58
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

2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 54084264
4-methyl-1-(2-methylpropyl)cyclobutene
CID 123924362
6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
CID 166712660
2-(3-methylbutyl)bicyclo[2.2.1]hepta-2,5-diene
CID 23045340
1,3,5-trifluoro-2-(2-methylpropyl)cyclohexa-1,3-diene
CID 170072177
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
2-methyl-4-(2-methylpropyl)-2H-imidazole
CID 89369408
1,2-bis(2-methylpropyl)cyclohexene
CID 163419117
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
2-methyl-6-(2-methylpropyl)-2,3,4,5-tetrahydropyridine
CID 102202036
5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 23467383

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene (CID 24773290) is (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene is CC(C)CC1=C[C@@H]2C[C@H]1C=C2CC(C)C.
What is the InChIKey of (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is MLXIFKCIAWBFMW-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)5-12-7-15-9-14(12)8-13(15)6-11(3)4/h7-8,10-11,14-15H,5-6,9H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene?
(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 24773290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).