1-methyl-2,3-dimethylidenecycloheptane

C10H16 — CID 20744103

IUPAC1-methyl-2,3-dimethylidenecycloheptane
SMILESC=C1CCCCC(C)C1=C
InChIInChI=1S/C10H16/c1-8-6-4-5-7-9(2)10(8)3/h9H,1,3-7H2,2H3
InChIKeyBLQSXYRMCQHPET-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds

About 1-methyl-2,3-dimethylidenecycloheptane

1-methyl-2,3-dimethylidenecycloheptane (PubChem CID 20744103) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-methyl-2,3-dimethylidenecycloheptane.

Molecular Properties

Compound Name1-methyl-2,3-dimethylidenecycloheptane
PubChem CID20744103
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-methyl-2,3-dimethylidenecycloheptane
SMILESC=C1CCCCC(C)C1=C
InChIInChI=1S/C10H16/c1-8-6-4-5-7-9(2)10(8)3/h9H,1,3-7H2,2H3
InChIKeyBLQSXYRMCQHPET-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[(2-methylcyclohexylidene)methylidene]cyclohexane
CID 57098775
1-methyl-2-methylidenecyclobutane
CID 20800914
2,3-dimethylidenecyclohexan-1-ol;ethane
CID 142053624
(3S)-3-methyl-2-methylidenecyclopentan-1-one
CID 11789153
(1S)-2,3-dimethylidenecyclohexan-1-ol
CID 142175224
3-methyl-4,5-dimethylideneazepane
CID 123498215
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
3-methylcyclododecane-1,2-dione
CID 12995105
2-methyl-7-methylideneoxepane
CID 70423571
3-methyl-8-methylideneoxonane
CID 170738046
4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 123973221
6-methylcyclodecan-1-one
CID 121216307

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dimethylidenecycloheptane?
The IUPAC name of 1-methyl-2,3-dimethylidenecycloheptane (CID 20744103) is 1-methyl-2,3-dimethylidenecycloheptane.
What is the SMILES notation for 1-methyl-2,3-dimethylidenecycloheptane?
The canonical SMILES for 1-methyl-2,3-dimethylidenecycloheptane is C=C1CCCCC(C)C1=C.
What is the InChIKey of 1-methyl-2,3-dimethylidenecycloheptane?
The InChIKey is BLQSXYRMCQHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8-6-4-5-7-9(2)10(8)3/h9H,1,3-7H2,2H3.
What are the key properties of 1-methyl-2,3-dimethylidenecycloheptane?
1-methyl-2,3-dimethylidenecycloheptane has a molecular weight of 136.24 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dimethylidenecycloheptane is sourced from PubChem (CID 20744103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).