(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene

C15H26 — CID 46888523

IUPAC(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene
SMILESCC1=C(C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H26/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h13H,6-10H2,1-5H3/t13-,15+/m0/s1
InChIKeyVSURQKXDWDMWKL-DZGCQCFKSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds

About (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene

(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene (PubChem CID 46888523) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene
PubChem CID46888523
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene
SMILESCC1=C(C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H26/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h13H,6-10H2,1-5H3/t13-,15+/m0/s1
InChIKeyVSURQKXDWDMWKL-DZGCQCFKSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene?
The IUPAC name of (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene (CID 46888523) is (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene.
What is the SMILES notation for (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene?
The canonical SMILES for (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene is CC1=C(C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.
What is the InChIKey of (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene?
The InChIKey is VSURQKXDWDMWKL-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h13H,6-10H2,1-5H3/t13-,15+/m0/s1.
What are the key properties of (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene?
(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene is sourced from PubChem (CID 46888523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).