2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene

C15H20O — CID 144519200

IUPAC2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene
SMILESCC1=C(COCC2=CCCC=C2)C=CCC1
InChIInChI=1S/C15H20O/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h3,6,8-10H,2,4-5,7,11-12H2,1H3
InChIKeyNPXSMQVEJZKJHM-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.95
Rot. Bonds4

About 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene

2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene (PubChem CID 144519200) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene
PubChem CID144519200
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene
SMILESCC1=C(COCC2=CCCC=C2)C=CCC1
InChIInChI=1S/C15H20O/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h3,6,8-10H,2,4-5,7,11-12H2,1H3
InChIKeyNPXSMQVEJZKJHM-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromoethoxymethyl)cyclohexa-1,3-diene
CID 144572735
cyclohexa-1,5-dien-1-ylmethyl methanesulfonate
CID 163680872
2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene
CID 146614259
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
4-[(2-methylcyclohexa-1,5-dien-1-yl)methylamino]phenol
CID 145373751
1-(bromomethyl)-4-[2-(cyclohexa-1,5-dien-1-ylmethoxy)ethoxy]benzene
CID 177328448
2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 142532065
3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol
CID 177027220
2-(14-butoxytetradecyl)cyclohexa-1,3-diene
CID 145255742
2-[5-(cyclohexa-1,5-dien-1-ylmethoxy)-2,5-dimethylhexan-2-yl]oxyethanamine
CID 143702950
CID 145359118
CID 145359118
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene (CID 144519200) is 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene is CC1=C(COCC2=CCCC=C2)C=CCC1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene?
The InChIKey is NPXSMQVEJZKJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h3,6,8-10H,2,4-5,7,11-12H2,1H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene?
2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene has a molecular weight of 216.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 144519200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).