(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

C16H30 — CID 22216270

IUPAC(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCC[C@H]1CC(C)CC2C1C(C)(C)CC[C@@H]2C
InChIInChI=1S/C16H30/c1-6-13-9-11(2)10-14-12(3)7-8-16(4,5)15(13)14/h11-15H,6-10H2,1-5H3/t11?,12-,13-,14?,15?/m0/s1
InChIKeyLSESUEKKIDALDU-PYJARURNSA-N
MW222.42 g/mol
LogP5.13
Rot. Bonds1

About (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (PubChem CID 22216270) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
PubChem CID22216270
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCC[C@H]1CC(C)CC2C1C(C)(C)CC[C@@H]2C
InChIInChI=1S/C16H30/c1-6-13-9-11(2)10-14-12(3)7-8-16(4,5)15(13)14/h11-15H,6-10H2,1-5H3/t11?,12-,13-,14?,15?/m0/s1
InChIKeyLSESUEKKIDALDU-PYJARURNSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The IUPAC name of (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (CID 22216270) is (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.
What is the SMILES notation for (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The canonical SMILES for (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is CC[C@H]1CC(C)CC2C1C(C)(C)CC[C@@H]2C.
What is the InChIKey of (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The InChIKey is LSESUEKKIDALDU-PYJARURNSA-N. The full InChI is InChI=1S/C16H30/c1-6-13-9-11(2)10-14-12(3)7-8-16(4,5)15(13)14/h11-15H,6-10H2,1-5H3/t11?,12-,13-,14?,15?/m0/s1.
What are the key properties of (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene has a molecular weight of 222.42 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 22216270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).