4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane

C21H36 — CID 91276732

IUPAC4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane
SMILESCC1CC(C)C(=C2CCC2C)CC2C(C)C(C(C)C)C2C1
InChIInChI=1S/C21H36/c1-12(2)21-16(6)19-11-18(17-8-7-14(17)4)15(5)9-13(3)10-20(19)21/h12-16,19-21H,7-11H2,1-6H3
InChIKeyNFLPPFZSTQMHBQ-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.32
Rot. Bonds1

About 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane

4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane (PubChem CID 91276732) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane.

Molecular Properties

Compound Name4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane
PubChem CID91276732
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane
SMILESCC1CC(C)C(=C2CCC2C)CC2C(C)C(C(C)C)C2C1
InChIInChI=1S/C21H36/c1-12(2)21-16(6)19-11-18(17-8-7-14(17)4)15(5)9-13(3)10-20(19)21/h12-16,19-21H,7-11H2,1-6H3
InChIKeyNFLPPFZSTQMHBQ-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.32
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

1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
2-[(3R,5S,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
CID 53298565
11-methyl-12-propan-2-ylbicyclo[8.2.0]dodecane
CID 91043765
(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol
CID 162937442
(1R,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
CID 124524881
2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 90983654
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
1,3-ditert-butyl-5-methyl-2-propan-2-ylcyclohexane
CID 140714074
8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane
CID 71411324
(2R)-2-methylbicyclo[3.2.0]hept-1(5)-ene
CID 149263121
(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 134443469

Frequently Asked Questions

What is the IUPAC name of 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane?
The IUPAC name of 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane (CID 91276732) is 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane.
What is the SMILES notation for 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane?
The canonical SMILES for 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane is CC1CC(C)C(=C2CCC2C)CC2C(C)C(C(C)C)C2C1.
What is the InChIKey of 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane?
The InChIKey is NFLPPFZSTQMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-12(2)21-16(6)19-11-18(17-8-7-14(17)4)15(5)9-13(3)10-20(19)21/h12-16,19-21H,7-11H2,1-6H3.
What are the key properties of 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane?
4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane has a molecular weight of 288.52 g/mol, XLogP of 6.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane is sourced from PubChem (CID 91276732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).