(4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene

C15H26 — CID 54014121

IUPAC(4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
SMILESCC1CC(C)[C@@H]2[C@@H](C)[C@@H](C)C=CC2(C)C1
InChIInChI=1S/C15H26/c1-10-8-12(3)14-13(4)11(2)6-7-15(14,5)9-10/h6-7,10-14H,8-9H2,1-5H3/t10?,11-,12?,13-,14+,15?/m0/s1
InChIKeyKUKQZOBYLPIUIP-YFWWYYDSSA-N
MW206.37 g/mol
LogP4.52
Rot. Bonds

About (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene

(4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene (PubChem CID 54014121) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name(4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
PubChem CID54014121
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
SMILESCC1CC(C)[C@@H]2[C@@H](C)[C@@H](C)C=CC2(C)C1
InChIInChI=1S/C15H26/c1-10-8-12(3)14-13(4)11(2)6-7-15(14,5)9-10/h6-7,10-14H,8-9H2,1-5H3/t10?,11-,12?,13-,14+,15?/m0/s1
InChIKeyKUKQZOBYLPIUIP-YFWWYYDSSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.52
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

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CID 59879347
ethyl (4aR,6S,8R,8aR)-3,4a,6,8-tetramethyl-2-oxo-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate
CID 177412138
3,4a-dimethyl-2,3,4,8a-tetrahydrochromene
CID 146246430
1,4-dimethylbicyclo[3.2.0]hept-6-ene
CID 90487116
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol
CID 14661581
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 123899625
1,4-dimethyl-2-(1-methylcyclopropyl)cyclopentane
CID 123851354
1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine
CID 123728410
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410

Frequently Asked Questions

What is the IUPAC name of (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The IUPAC name of (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene (CID 54014121) is (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene.
What is the SMILES notation for (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The canonical SMILES for (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene is CC1CC(C)[C@@H]2[C@@H](C)[C@@H](C)C=CC2(C)C1.
What is the InChIKey of (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The InChIKey is KUKQZOBYLPIUIP-YFWWYYDSSA-N. The full InChI is InChI=1S/C15H26/c1-10-8-12(3)14-13(4)11(2)6-7-15(14,5)9-10/h6-7,10-14H,8-9H2,1-5H3/t10?,11-,12?,13-,14+,15?/m0/s1.
What are the key properties of (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
(4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,6S)-2,4,5,6,8a-pentamethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene is sourced from PubChem (CID 54014121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).