(1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane

C11H16O2 — CID 46243250

IUPAC(1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane
SMILESC=C1CC2(CC(=C)O[C@@H]2C)[C@H](C)O1
InChIInChI=1S/C11H16O2/c1-7-5-11(9(3)12-7)6-8(2)13-10(11)4/h9-10H,1-2,5-6H2,3-4H3/t9-,10+,11?
InChIKeyDDMGGOLPLNLPFW-ZACCUICWSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds

About (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane

(1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane (PubChem CID 46243250) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane
PubChem CID46243250
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane
SMILESC=C1CC2(CC(=C)O[C@@H]2C)[C@H](C)O1
InChIInChI=1S/C11H16O2/c1-7-5-11(9(3)12-7)6-8(2)13-10(11)4/h9-10H,1-2,5-6H2,3-4H3/t9-,10+,11?
InChIKeyDDMGGOLPLNLPFW-ZACCUICWSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxolane
CID 176605068
3,8-Dimethylidene-2,7-dioxaspiro[4.4]nonane
CID 101516087
(1R,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane
CID 101516088

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane?
The IUPAC name of (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane (CID 46243250) is (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane?
The canonical SMILES for (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane is C=C1CC2(CC(=C)O[C@@H]2C)[C@H](C)O1.
What is the InChIKey of (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane?
The InChIKey is DDMGGOLPLNLPFW-ZACCUICWSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-5-11(9(3)12-7)6-8(2)13-10(11)4/h9-10H,1-2,5-6H2,3-4H3/t9-,10+,11?.
What are the key properties of (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane?
(1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane has a molecular weight of 180.25 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1,6-dimethyl-3,8-dimethylidene-2,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 46243250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).