(2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene

C23H36O4 — CID 70183946

IUPAC(2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene
SMILESCC(=O)OC1CCCCC1C(C)(C)C.CC=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H22O2.C11H14O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4;1-4-5-9-6-7-10(12-2)11(8-9)13-3/h10-11H,5-8H2,1-4H3;4-8H,1-3H3
InChIKeyPQJWRUJWJBTDBO-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.89
Rot. Bonds4

About (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene

(2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene (PubChem CID 70183946) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene.

Molecular Properties

Compound Name(2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene
PubChem CID70183946
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Name(2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene
SMILESCC(=O)OC1CCCCC1C(C)(C)C.CC=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H22O2.C11H14O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4;1-4-5-9-6-7-10(12-2)11(8-9)13-3/h10-11H,5-8H2,1-4H3;4-8H,1-3H3
InChIKeyPQJWRUJWJBTDBO-UHFFFAOYSA-N
XLogP5.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
CID 174893662
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
[(1S)-2-oxocyclohexyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2406109
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1122315
2-methoxy-1-(2-methylbutan-2-yloxy)-4-[(Z)-prop-1-enyl]benzene
CID 177482757
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid;ethane;2-methylpropan-2-ol
CID 142376812
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene?
The IUPAC name of (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene (CID 70183946) is (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene.
What is the SMILES notation for (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene?
The canonical SMILES for (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene is CC(=O)OC1CCCCC1C(C)(C)C.CC=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene?
The InChIKey is PQJWRUJWJBTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C11H14O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4;1-4-5-9-6-7-10(12-2)11(8-9)13-3/h10-11H,5-8H2,1-4H3;4-8H,1-3H3.
What are the key properties of (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene?
(2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene has a molecular weight of 376.54 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclohexyl) acetate;1,2-dimethoxy-4-prop-1-enylbenzene is sourced from PubChem (CID 70183946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).