7-methyl-2-methylideneoxocane

C9H16O — CID 89076778

IUPAC7-methyl-2-methylideneoxocane
SMILESC=C1CCCCC(C)CO1
InChIInChI=1S/C9H16O/c1-8-5-3-4-6-9(2)10-7-8/h8H,2-7H2,1H3
InChIKeyDFHGAXSMMFGTPD-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds

About 7-methyl-2-methylideneoxocane

7-methyl-2-methylideneoxocane (PubChem CID 89076778) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 7-methyl-2-methylideneoxocane.

Molecular Properties

Compound Name7-methyl-2-methylideneoxocane
PubChem CID89076778
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name7-methyl-2-methylideneoxocane
SMILESC=C1CCCCC(C)CO1
InChIInChI=1S/C9H16O/c1-8-5-3-4-6-9(2)10-7-8/h8H,2-7H2,1H3
InChIKeyDFHGAXSMMFGTPD-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylideneoxocane?
The IUPAC name of 7-methyl-2-methylideneoxocane (CID 89076778) is 7-methyl-2-methylideneoxocane.
What is the SMILES notation for 7-methyl-2-methylideneoxocane?
The canonical SMILES for 7-methyl-2-methylideneoxocane is C=C1CCCCC(C)CO1.
What is the InChIKey of 7-methyl-2-methylideneoxocane?
The InChIKey is DFHGAXSMMFGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-5-3-4-6-9(2)10-7-8/h8H,2-7H2,1H3.
What are the key properties of 7-methyl-2-methylideneoxocane?
7-methyl-2-methylideneoxocane has a molecular weight of 140.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylideneoxocane is sourced from PubChem (CID 89076778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).