(4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene

C10H18O2 — CID 11217496

IUPAC(4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene
SMILESCO[C@]1(C)CC=CC[C@]1(C)OC
InChIInChI=1S/C10H18O2/c1-9(11-3)7-5-6-8-10(9,2)12-4/h5-6H,7-8H2,1-4H3/t9-,10+
InChIKeyHCZJUVSMCZFUFW-AOOOYVTPSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds2

About (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene

(4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene (PubChem CID 11217496) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene
PubChem CID11217496
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene
SMILESCO[C@]1(C)CC=CC[C@]1(C)OC
InChIInChI=1S/C10H18O2/c1-9(11-3)7-5-6-8-10(9,2)12-4/h5-6H,7-8H2,1-4H3/t9-,10+
InChIKeyHCZJUVSMCZFUFW-AOOOYVTPSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-4-methoxycyclohexene
CID 86182451
4-But-3-enyl-4-methoxycyclopentene
CID 101200196
(4S)-4-methoxy-4-prop-2-enylcyclohexene
CID 101200197
(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene
CID 11310134
4-Methoxy-4-methylcyclohexene
CID 14144778
4,5-Dimethoxy-4,5-dimethylhex-1-ene
CID 19985392
4-Methoxy-4-propan-2-ylcyclohexene
CID 23385036
4-(2-Ethoxyethoxymethyl)-3,6-dimethylcyclohexene
CID 53853492
4-(2-Methoxypropan-2-yl)cyclohexene
CID 58385669
CID 58433854
CID 58433854
(4R)-4-methoxy-4-propan-2-ylcyclohexene
CID 59039410
(4S)-4-methoxy-4-propan-2-ylcyclohexene
CID 59039464

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene?
The IUPAC name of (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene (CID 11217496) is (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene.
What is the SMILES notation for (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene?
The canonical SMILES for (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene is CO[C@]1(C)CC=CC[C@]1(C)OC.
What is the InChIKey of (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene?
The InChIKey is HCZJUVSMCZFUFW-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(11-3)7-5-6-8-10(9,2)12-4/h5-6H,7-8H2,1-4H3/t9-,10+.
What are the key properties of (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene?
(4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethoxy-4,5-dimethylcyclohexene is sourced from PubChem (CID 11217496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).