(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C19H28 — CID 56620245

IUPAC(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCc1ccc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1
InChIInChI=1S/C19H28/c1-2-5-15-8-10-17(11-9-15)19-13-12-16-6-3-4-7-18(16)14-19/h8-11,16,18-19H,2-7,12-14H2,1H3/t16-,18-,19-/m1/s1
InChIKeyTVVRKYBBVUJYOF-BHIYHBOVSA-N
MW256.43 g/mol
LogP5.71
Rot. Bonds3

About (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 56620245) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID56620245
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCc1ccc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1
InChIInChI=1S/C19H28/c1-2-5-15-8-10-17(11-9-15)19-13-12-16-6-3-4-7-18(16)14-19/h8-11,16,18-19H,2-7,12-14H2,1H3/t16-,18-,19-/m1/s1
InChIKeyTVVRKYBBVUJYOF-BHIYHBOVSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
(2R,4aR,8aR)-2-but-3-enyl-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809752
(4aR,6R,8aR)-2-hexyl-6-[4-(4-propylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809518
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43769074
1-(3-bromocyclohexyl)-4-propylbenzene
CID 64506484
4-(3-cyclopentylcyclopentyl)phenol
CID 57025920
1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene
CID 123525721
2-pentyl-6-[4-[2-(4-propylphenyl)ethynyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383110
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 56620245) is (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCc1ccc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1.
What is the InChIKey of (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is TVVRKYBBVUJYOF-BHIYHBOVSA-N. The full InChI is InChI=1S/C19H28/c1-2-5-15-8-10-17(11-9-15)19-13-12-16-6-3-4-7-18(16)14-19/h8-11,16,18-19H,2-7,12-14H2,1H3/t16-,18-,19-/m1/s1.
What are the key properties of (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 256.43 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 56620245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).