1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene

C17H26 — CID 123230327

IUPAC1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene
SMILESC=C1C2CCCCC2C(=C)C2C(C)CCCC12
InChIInChI=1S/C17H26/c1-11-7-6-10-16-12(2)14-8-4-5-9-15(14)13(3)17(11)16/h11,14-17H,2-10H2,1H3
InChIKeyQHQZPBUFOIBLQK-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.97
Rot. Bonds

About 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene

1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene (PubChem CID 123230327) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene.

Molecular Properties

Compound Name1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene
PubChem CID123230327
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene
SMILESC=C1C2CCCCC2C(=C)C2C(C)CCCC12
InChIInChI=1S/C17H26/c1-11-7-6-10-16-12(2)14-8-4-5-9-15(14)13(3)17(11)16/h11,14-17H,2-10H2,1H3
InChIKeyQHQZPBUFOIBLQK-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.97
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

1,6-dimethyl-7-[(4-methylcyclohexyl)methyl]-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
CID 123722640
1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione
CID 69029801
(3aR,7aR)-4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CID 54251539
4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 123973221
CID 134889664
CID 134889664
8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene
CID 175560244
1,2-dimethylcyclononadecane
CID 123549851
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclohexane;vanadium
CID 142004480
1,2-dimethylcycloicosane
CID 123296856
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
CID 124645673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene?
The IUPAC name of 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene (CID 123230327) is 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene.
What is the SMILES notation for 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene?
The canonical SMILES for 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene is C=C1C2CCCCC2C(=C)C2C(C)CCCC12.
What is the InChIKey of 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene?
The InChIKey is QHQZPBUFOIBLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-11-7-6-10-16-12(2)14-8-4-5-9-15(14)13(3)17(11)16/h11,14-17H,2-10H2,1H3.
What are the key properties of 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene?
1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene has a molecular weight of 230.39 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9,10-dimethylidene-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene is sourced from PubChem (CID 123230327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).