3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene

C18H28 — CID 149312528

IUPAC3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene
SMILESCC1CCC2C=C3C(=CC12)C(C)(C)CCC3(C)C
InChIInChI=1S/C18H28/c1-12-6-7-13-10-15-16(11-14(12)13)18(4,5)9-8-17(15,2)3/h10-14H,6-9H2,1-5H3
InChIKeyXYWUXRAYLMSBRN-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.36
Rot. Bonds

About 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene

3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene (PubChem CID 149312528) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene
PubChem CID149312528
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene
SMILESCC1CCC2C=C3C(=CC12)C(C)(C)CCC3(C)C
InChIInChI=1S/C18H28/c1-12-6-7-13-10-15-16(11-14(12)13)18(4,5)9-8-17(15,2)3/h10-14H,6-9H2,1-5H3
InChIKeyXYWUXRAYLMSBRN-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene with MolForge

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Related Compounds

12-[2-(4-tert-butyl-2-methylcyclopentyl)propan-2-yl]-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene
CID 140700532
12-(5-tert-butyl-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene
CID 59661335
(1S,4R,4aR)-1,4,6-trimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 89094088
2,3-difluoro-4-methylcyclohexan-1-ol
CID 89103699
(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene
CID 163824115
[(1R,3aS,4S,8aS)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-yl]-methylazanide
CID 163159156
(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane
CID 174822261
(7S,10R,13R,17S)-3,7,10,13,17-pentamethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 58770124
N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
CID 162290203
2-[(4R,4aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-2-methyloxirane
CID 89167305
tert-butyl-[dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraenyl)silyl]azanide;carbanide;methanidylbenzene;titanium(4+)
CID 153499531
12-(5-tert-butyl-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;carbanide;dichlorozirconium(2+)
CID 162284808

Frequently Asked Questions

What is the IUPAC name of 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene (CID 149312528) is 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene is CC1CCC2C=C3C(=CC12)C(C)(C)CCC3(C)C.
What is the InChIKey of 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene?
The InChIKey is XYWUXRAYLMSBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-12-6-7-13-10-15-16(11-14(12)13)18(4,5)9-8-17(15,2)3/h10-14H,6-9H2,1-5H3.
What are the key properties of 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene?
3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene has a molecular weight of 244.42 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 149312528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).