(4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene

C11H18O — CID 134928005

IUPAC(4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESCC1C=CO[C@@H]2C[C@H](C)CC[C@@H]12
InChIInChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h5-6,8-11H,3-4,7H2,1-2H3/t8-,9?,10+,11-/m1/s1
InChIKeyJRYXIJSVOVFWBF-TVTJGUELSA-N
MW166.26 g/mol
LogP2.97
Rot. Bonds

About (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene

(4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene (PubChem CID 134928005) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene.

Molecular Properties

Compound Name(4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
PubChem CID134928005
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESCC1C=CO[C@@H]2C[C@H](C)CC[C@@H]12
InChIInChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h5-6,8-11H,3-4,7H2,1-2H3/t8-,9?,10+,11-/m1/s1
InChIKeyJRYXIJSVOVFWBF-TVTJGUELSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene with MolForge

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Related Compounds

4a,5,6,7,8,8a-Hexahydro-4H-1-benzopyran
CID 85782364
(1S,2R,4R)-4-methyl-2-[(1E,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane
CID 11065337
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-[(E)-prop-1-enoxy]cyclohexane
CID 11206383
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-[(Z)-prop-1-enoxy]cyclohexane
CID 13808323
(1S,2R,4R)-2-[(Z)-but-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 13808327
(1S,2R,4R)-2-[(E)-but-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 13808328
(1S,2R,4R)-4-methyl-2-[(1Z,3E)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane
CID 15417810
(1S,2R,4R)-2-[(1Z)-hexa-1,5-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 15449907
(1S,2R,4R)-2-[(E)-1-bromo-4-methylpent-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 15530587
(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 134857961
trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 134861120
(4S,7S)-4,7-dimethyl-4,4a,5,6,7,8-hexahydro-3H-isochromene
CID 134896061

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The IUPAC name of (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene (CID 134928005) is (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene.
What is the SMILES notation for (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The canonical SMILES for (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene is CC1C=CO[C@@H]2C[C@H](C)CC[C@@H]12.
What is the InChIKey of (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The InChIKey is JRYXIJSVOVFWBF-TVTJGUELSA-N. The full InChI is InChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h5-6,8-11H,3-4,7H2,1-2H3/t8-,9?,10+,11-/m1/s1.
What are the key properties of (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
(4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene has a molecular weight of 166.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,8aR)-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene is sourced from PubChem (CID 134928005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).