trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane

C13H22O2 — CID 166818984

IUPACtrans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane
SMILESC#CCC1CC[C@@H](OC(C)C)[C@H](OC)C1
InChIInChI=1S/C13H22O2/c1-5-6-11-7-8-12(15-10(2)3)13(9-11)14-4/h1,10-13H,6-9H2,2-4H3/t11?,12-,13-/m1/s1
InChIKeyFCYZZMAQRRQHGZ-VFRRUGBOSA-N
MW210.32 g/mol
LogP2.62
Rot. Bonds4

About trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane

trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane (PubChem CID 166818984) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane
PubChem CID166818984
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nametrans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane
SMILESC#CCC1CC[C@@H](OC(C)C)[C@H](OC)C1
InChIInChI=1S/C13H22O2/c1-5-6-11-7-8-12(15-10(2)3)13(9-11)14-4/h1,10-13H,6-9H2,2-4H3/t11?,12-,13-/m1/s1
InChIKeyFCYZZMAQRRQHGZ-VFRRUGBOSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-1-methoxy-2-propan-2-yloxycyclohexane
CID 134594695
trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
CID 126735216
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
CID 144854044
N-methoxy-4-prop-2-ynylcyclohexan-1-amine
CID 146667366
1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol
CID 163931399
4-propan-2-yloxycyclohexane-1,3-diamine
CID 139764955
CID 59733261
CID 59733261
4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol
CID 156542299
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
CID 175555316
cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
CID 171466895

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane?
The IUPAC name of trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane (CID 166818984) is trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane?
The canonical SMILES for trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane is C#CCC1CC[C@@H](OC(C)C)[C@H](OC)C1.
What is the InChIKey of trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane?
The InChIKey is FCYZZMAQRRQHGZ-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-6-11-7-8-12(15-10(2)3)13(9-11)14-4/h1,10-13H,6-9H2,2-4H3/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane?
trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane has a molecular weight of 210.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane is sourced from PubChem (CID 166818984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).