trans-(1S,3S)-1,3-dimethoxycyclohexane

C8H16O2 — CID 22213707

IUPACtrans-(1S,3S)-1,3-dimethoxycyclohexane
SMILESCO[C@H]1CCC[C@H](OC)C1
InChIInChI=1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyMQTLTQMOALIWRO-YUMQZZPRSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About trans-(1S,3S)-1,3-dimethoxycyclohexane

trans-(1S,3S)-1,3-dimethoxycyclohexane (PubChem CID 22213707) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1S,3S)-1,3-dimethoxycyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1,3-dimethoxycyclohexane
PubChem CID22213707
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1S,3S)-1,3-dimethoxycyclohexane
SMILESCO[C@H]1CCC[C@H](OC)C1
InChIInChI=1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyMQTLTQMOALIWRO-YUMQZZPRSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethoxycyclohexan-1-ol
CID 547125
Cis-1,3-dimethoxycyclohexane
CID 22213706
3-Ethoxycyclohexan-1-ol
CID 79619013
1,3-Dimethoxycyclohexane
CID 547181
3-Propoxycyclohexan-1-ol
CID 67412647
3-(Propan-2-yloxy)cyclohexan-1-ol
CID 89244840
1-Fluoro-3,5-dimethyltoxybenzene;5-Fluororesorcinol dimethyl ether;5-Fluoro-1,3-dimethoxybenzene
CID 145817766
1-Methoxy-3-(3-methoxycyclohexoxy)cyclohexane
CID 487540
Cyclohexane, 1-methoxy-3-[(4-methoxycyclohexyl)oxy]-
CID 487541
DL-1,4,2-Trimethoxycyclohexane
CID 547386
cis,trans-1,3,5-Trimethoxycyclohexane
CID 547415
1,2,3-Trimethoxycyclohexane
CID 558588

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,3-dimethoxycyclohexane?
The IUPAC name of trans-(1S,3S)-1,3-dimethoxycyclohexane (CID 22213707) is trans-(1S,3S)-1,3-dimethoxycyclohexane.
What is the SMILES notation for trans-(1S,3S)-1,3-dimethoxycyclohexane?
The canonical SMILES for trans-(1S,3S)-1,3-dimethoxycyclohexane is CO[C@H]1CCC[C@H](OC)C1.
What is the InChIKey of trans-(1S,3S)-1,3-dimethoxycyclohexane?
The InChIKey is MQTLTQMOALIWRO-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-1,3-dimethoxycyclohexane?
trans-(1S,3S)-1,3-dimethoxycyclohexane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1,3-dimethoxycyclohexane is sourced from PubChem (CID 22213707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).