6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene

C15H26O — CID 70985784

IUPAC6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene
SMILESCCC(CC)C(C)OCC1CC=CC=C1C
InChIInChI=1S/C15H26O/c1-5-14(6-2)13(4)16-11-15-10-8-7-9-12(15)3/h7-9,13-15H,5-6,10-11H2,1-4H3
InChIKeyIQXCVYQHIUODGT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds6

About 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene

6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene (PubChem CID 70985784) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene
PubChem CID70985784
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene
SMILESCCC(CC)C(C)OCC1CC=CC=C1C
InChIInChI=1S/C15H26O/c1-5-14(6-2)13(4)16-11-15-10-8-7-9-12(15)3/h7-9,13-15H,5-6,10-11H2,1-4H3
InChIKeyIQXCVYQHIUODGT-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
CID 94648
(E)-Myroxide
CID 6538431
beta-Ocimene epoxide, (Z)-
CID 14701631
2,6-Dimethyl-2,3R-epoxyocta-5E,7-diene
CID 14701630
(3S)-2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane
CID 10898884
6-(2-Fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene
CID 134376263
(3Z,7Z,11E)-3,4,11-trifluoro-2,14-dimethyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxypentadeca-1,3,7,11-tetraene
CID 143772452
(2E,7Z,11Z,15E)-7,8,15-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
CID 143772550
(6Z,10Z,14E)-6,7,14-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene
CID 143772556
(3Z,7Z,11E)-3,4,12-trifluoro-2,14-dimethyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxypentadeca-1,3,7,11-tetraene
CID 143772915
(6Z,10Z,14E)-6,7,15-trifluoro-17-methyl-5,8,9,12,13,16-hexamethylidene-18-propan-2-yloxyoctadeca-1,6,10,14-tetraene
CID 143772963
(2E,7Z,11Z,15E)-7,8,16-trifluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
CID 143773153

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene (CID 70985784) is 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene is CCC(CC)C(C)OCC1CC=CC=C1C.
What is the InChIKey of 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene?
The InChIKey is IQXCVYQHIUODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-5-14(6-2)13(4)16-11-15-10-8-7-9-12(15)3/h7-9,13-15H,5-6,10-11H2,1-4H3.
What are the key properties of 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene?
6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene has a molecular weight of 222.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70985784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).