2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene

C15H24 — CID 578929

IUPAC2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene
SMILESCC1=CCCC2(C)CCC3C(C)(C)CC132
InChIInChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3
InChIKeyWHXUZXDWQKUIJL-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene

2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene (PubChem CID 578929) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene.

Molecular Properties

Compound Name2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene
PubChem CID578929
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene
SMILESCC1=CCCC2(C)CCC3C(C)(C)CC132
InChIInChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3
InChIKeyWHXUZXDWQKUIJL-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.56
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

Delta(6)-protoilludene
CID 15939655
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
Cascarilladiene
CID 570507
Npc125266
CID 595133
(+)-2-Sterpurene
CID 10943609
beta-Acoradiene
CID 20055537
alpha-Bourbonene
CID 530816
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene
CID 90658578
alpha-Alaskene
CID 6428487
(+)-Trans-4(11),8-aucadiene
CID 11586486
beta-Panasinsene
CID 23242103

Frequently Asked Questions

What is the IUPAC name of 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene?
The IUPAC name of 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene (CID 578929) is 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene.
What is the SMILES notation for 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene?
The canonical SMILES for 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene is CC1=CCCC2(C)CCC3C(C)(C)CC132.
What is the InChIKey of 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene?
The InChIKey is WHXUZXDWQKUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3.
What are the key properties of 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene?
2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene has a molecular weight of 204.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene is sourced from PubChem (CID 578929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).