(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene

C11H18O — CID 59914930

IUPAC(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1O[C@@H]2CCCC[C@@H]2CC1C
InChIInChI=1S/C11H18O/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h8,10-11H,2-7H2,1H3/t8?,10-,11-/m1/s1
InChIKeyHDBKZWDVIKQGQD-GUJYYOPSSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds

About (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene

(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (PubChem CID 59914930) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
PubChem CID59914930
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1O[C@@H]2CCCC[C@@H]2CC1C
InChIInChI=1S/C11H18O/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h8,10-11H,2-7H2,1H3/t8?,10-,11-/m1/s1
InChIKeyHDBKZWDVIKQGQD-GUJYYOPSSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The IUPAC name of (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (CID 59914930) is (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.
What is the SMILES notation for (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The canonical SMILES for (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is C=C1O[C@@H]2CCCC[C@@H]2CC1C.
What is the InChIKey of (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The InChIKey is HDBKZWDVIKQGQD-GUJYYOPSSA-N. The full InChI is InChI=1S/C11H18O/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h8,10-11H,2-7H2,1H3/t8?,10-,11-/m1/s1.
What are the key properties of (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene has a molecular weight of 166.26 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is sourced from PubChem (CID 59914930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).