(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene

C18H26 — CID 144704080

IUPAC(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC[C@@H]1c2ccccc2CC[C@H]1C1CCCC1
InChIInChI=1S/C18H26/c1-2-7-18-16-11-6-5-10-15(16)12-13-17(18)14-8-3-4-9-14/h5-6,10-11,14,17-18H,2-4,7-9,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyHAKWOMZIKKNCFI-ZWKOTPCHSA-N
MW242.41 g/mol
LogP5.32
Rot. Bonds3

About (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene

(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 144704080) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID144704080
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC[C@@H]1c2ccccc2CC[C@H]1C1CCCC1
InChIInChI=1S/C18H26/c1-2-7-18-16-11-6-5-10-15(16)12-13-17(18)14-8-3-4-9-14/h5-6,10-11,14,17-18H,2-4,7-9,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyHAKWOMZIKKNCFI-ZWKOTPCHSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158
2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene
CID 139448646
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
(1R)-1-propyl-2,3-dihydro-1H-inden-2-amine
CID 143271430
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
1-ethyl-2,3-dihydro-1H-indene
CID 20971
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene (CID 144704080) is (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene is CCC[C@@H]1c2ccccc2CC[C@H]1C1CCCC1.
What is the InChIKey of (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HAKWOMZIKKNCFI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H26/c1-2-7-18-16-11-6-5-10-15(16)12-13-17(18)14-8-3-4-9-14/h5-6,10-11,14,17-18H,2-4,7-9,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene?
(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 242.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144704080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).