(1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane

C18H24 — CID 98557042

IUPAC(1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane
SMILESCCC[C@@]1(C)[C@@]2(C)[C@H]3CC[C@@H]3[C@]12c1ccccc1
InChIInChI=1S/C18H24/c1-4-12-16(2)17(3)14-10-11-15(14)18(16,17)13-8-6-5-7-9-13/h5-9,14-15H,4,10-12H2,1-3H3/t14-,15-,16-,17+,18+/m0/s1
InChIKeySPBNJWFOBROSRP-NNPSNHGLSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds3

About (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane

(1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane (PubChem CID 98557042) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane.

Molecular Properties

Compound Name(1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane
PubChem CID98557042
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane
SMILESCCC[C@@]1(C)[C@@]2(C)[C@H]3CC[C@@H]3[C@]12c1ccccc1
InChIInChI=1S/C18H24/c1-4-12-16(2)17(3)14-10-11-15(14)18(16,17)13-8-6-5-7-9-13/h5-9,14-15H,4,10-12H2,1-3H3/t14-,15-,16-,17+,18+/m0/s1
InChIKeySPBNJWFOBROSRP-NNPSNHGLSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane with MolForge

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Related Compounds

(1R,2S,3R,4S,5S)-3-ethyl-2,3-dimethyl-4-phenyltricyclo[3.2.0.02,4]heptane
CID 124835319
3,3-didecoxy-2,4-diphenyltricyclo[3.3.0.02,4]octane
CID 102048100
2-cyclopropyl-5-methyl-5-phenyl-1-propylpiperazine
CID 64860974
2-phenyl-2-propylazepane
CID 79117631
[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139782194
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(1-butylcyclobutyl)benzene
CID 57200184
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965
(1-propoxycyclobutyl)benzene
CID 57027852
1-methyl-2-phenyl-2-propylpyrrolidine
CID 70881193
3-phenyl-3-propylcyclopentane-1-carbaldehyde
CID 154684194
(1R,2R,5S,6R,9R)-9-benzyl-1,9-dimethyl-6-phenyl-7,8-diazatricyclo[4.2.1.02,5]non-7-ene
CID 94037145

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane?
The IUPAC name of (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane (CID 98557042) is (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane.
What is the SMILES notation for (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane?
The canonical SMILES for (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane is CCC[C@@]1(C)[C@@]2(C)[C@H]3CC[C@@H]3[C@]12c1ccccc1.
What is the InChIKey of (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane?
The InChIKey is SPBNJWFOBROSRP-NNPSNHGLSA-N. The full InChI is InChI=1S/C18H24/c1-4-12-16(2)17(3)14-10-11-15(14)18(16,17)13-8-6-5-7-9-13/h5-9,14-15H,4,10-12H2,1-3H3/t14-,15-,16-,17+,18+/m0/s1.
What are the key properties of (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane?
(1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane has a molecular weight of 240.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S,5S)-2,3-dimethyl-4-phenyl-3-propyltricyclo[3.2.0.02,4]heptane is sourced from PubChem (CID 98557042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).