(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane

C18H30O2 — CID 155378283

IUPAC(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane
SMILESCC1=CC[C@H](C2CC[C@@H](C3CC[C@@H](C)CO3)OC2)CC1
InChIInChI=1S/C18H30O2/c1-13-3-6-15(7-4-13)16-8-10-18(20-12-16)17-9-5-14(2)11-19-17/h3,14-18H,4-12H2,1-2H3/t14-,15+,16?,17?,18+/m1/s1
InChIKeyAXROWSLGVUFLHZ-VGAKTEPXSA-N
MW278.44 g/mol
LogP4.34
Rot. Bonds2

About (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane

(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane (PubChem CID 155378283) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane.

Molecular Properties

Compound Name(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane
PubChem CID155378283
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane
SMILESCC1=CC[C@H](C2CC[C@@H](C3CC[C@@H](C)CO3)OC2)CC1
InChIInChI=1S/C18H30O2/c1-13-3-6-15(7-4-13)16-8-10-18(20-12-16)17-9-5-14(2)11-19-17/h3,14-18H,4-12H2,1-2H3/t14-,15+,16?,17?,18+/m1/s1
InChIKeyAXROWSLGVUFLHZ-VGAKTEPXSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane with MolForge

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Related Compounds

2-(4-methylcyclohex-3-en-1-yl)oxirane
CID 140666756
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
2-[[5-(4-methylcyclohex-3-en-1-yl)oxan-2-yl]methyl]-5-[2-(4-methylcyclohexyl)ethyl]oxane
CID 163972403
1,4-dimethylcyclohexene;2,5-dimethyloxane
CID 143612345
tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);molecular hydrogen;hydrate
CID 169425240
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane
CID 158486808
1,4-dimethyl(113C)cyclohexene
CID 11018826
2,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 176921529
tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium
CID 159607097
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
CID 157116139
CID 157116139
4-(chloromethyl)-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 13435636

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane?
The IUPAC name of (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane (CID 155378283) is (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane.
What is the SMILES notation for (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane?
The canonical SMILES for (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane is CC1=CC[C@H](C2CC[C@@H](C3CC[C@@H](C)CO3)OC2)CC1.
What is the InChIKey of (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane?
The InChIKey is AXROWSLGVUFLHZ-VGAKTEPXSA-N. The full InChI is InChI=1S/C18H30O2/c1-13-3-6-15(7-4-13)16-8-10-18(20-12-16)17-9-5-14(2)11-19-17/h3,14-18H,4-12H2,1-2H3/t14-,15+,16?,17?,18+/m1/s1.
What are the key properties of (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane?
(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane has a molecular weight of 278.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane is sourced from PubChem (CID 155378283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).