1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]

C15H24 — CID 176698525

IUPAC1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]
SMILESCC1=CCCC(C)C12CCC1C2C1(C)C
InChIInChI=1S/C15H24/c1-10-6-5-7-11(2)15(10)9-8-12-13(15)14(12,3)4/h6,11-13H,5,7-9H2,1-4H3
InChIKeyNXDNSADGACASAT-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]

1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene] (PubChem CID 176698525) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene].

Molecular Properties

Compound Name1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]
PubChem CID176698525
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]
SMILESCC1=CCCC(C)C12CCC1C2C1(C)C
InChIInChI=1S/C15H24/c1-10-6-5-7-11(2)15(10)9-8-12-13(15)14(12,3)4/h6,11-13H,5,7-9H2,1-4H3
InChIKeyNXDNSADGACASAT-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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

(1aS,7R,7bR)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene
CID 91753525
(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene
CID 163106075
1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
CID 70536981
2-[(5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
CID 15558515
2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
CID 5318052
(2'R,3bR,5'R,6aR)-2',4,4,5',6a-pentamethylspiro[2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalene-1,1'-cyclopentane]
CID 162786806
(1S,3R,6S,7S)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
CID 22832144
(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
CID 10998575
(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene
CID 163915833
(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene
CID 163000730
2,3,3,4-tetramethylcyclohepta-1,4-diene
CID 121218571
1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol
CID 162969440

Frequently Asked Questions

What is the IUPAC name of 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]?
The IUPAC name of 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene] (CID 176698525) is 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene].
What is the SMILES notation for 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]?
The canonical SMILES for 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene] is CC1=CCCC(C)C12CCC1C2C1(C)C.
What is the InChIKey of 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]?
The InChIKey is NXDNSADGACASAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10-6-5-7-11(2)15(10)9-8-12-13(15)14(12,3)4/h6,11-13H,5,7-9H2,1-4H3.
What are the key properties of 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]?
1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene] has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene] is sourced from PubChem (CID 176698525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).