(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane

C13H24O — CID 11063361

IUPAC(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
SMILESC=CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C13H24O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11-,12+,13-/m1/s1
InChIKeyYZDYYQPSQUPRTL-FRRDWIJNSA-N
MW196.33 g/mol
LogP3.65
Rot. Bonds4

About (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane

(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane (PubChem CID 11063361) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
PubChem CID11063361
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
SMILESC=CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C13H24O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11-,12+,13-/m1/s1
InChIKeyYZDYYQPSQUPRTL-FRRDWIJNSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Menthyl allyl ether
CID 11106286
1-(3,4-Difluoro-5-prop-2-enoxyhexan-2-yl)-4-methylcyclohexane
CID 142414482
1-(3,4-Difluoro-5-prop-2-enoxyheptan-2-yl)-4-methylcyclohexane
CID 144243427
1-(4,5-Difluoro-6-prop-2-enoxyheptan-3-yl)-4-methylcyclohexane
CID 145626393
p-Menthane, 3-allylperoxy-
CID 565687
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane
CID 10888855
(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,2s)-1-Methyl-4-(propan-2-yl)-1,2-bis(prop-2-en-1-yloxy)cyclohexane
CID 134158470
(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 134857961

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane?
The IUPAC name of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane (CID 11063361) is (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane.
What is the SMILES notation for (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane?
The canonical SMILES for (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane is C=CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane?
The InChIKey is YZDYYQPSQUPRTL-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H24O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3/t11-,12+,13-/m1/s1.
What are the key properties of (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane?
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane is sourced from PubChem (CID 11063361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).