2-cyclopentyloxy-3-methylcyclohexa-1,3-diene

C12H18O — CID 143035417

IUPAC2-cyclopentyloxy-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1OC1CCCC1
InChIInChI=1S/C12H18O/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeyZPOXEJOEYGDZOX-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.57
Rot. Bonds2

About 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene

2-cyclopentyloxy-3-methylcyclohexa-1,3-diene (PubChem CID 143035417) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-cyclopentyloxy-3-methylcyclohexa-1,3-diene
PubChem CID143035417
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2-cyclopentyloxy-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1OC1CCCC1
InChIInChI=1S/C12H18O/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeyZPOXEJOEYGDZOX-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
7-(t-Butoxy)-norbornadiene
CID 20405850
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
t-Butoxynorbornadiene
CID 129694470
6-(1-fluoro-2-methylbuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
CID 91364595
3-(4-Fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane
CID 123415534
6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
CID 123440132
6-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]-2-methyl-3,4-dihydro-2H-pyran
CID 130435926
(2E,3Z)-2-ethylidene-3-(2-fluoroethylidene)-5-methyloxolane
CID 137417395
5-Fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417397
3-Chloro-4-cyclopentyloxy-1-fluoro-6-methylcyclohepta-1,3,5-triene
CID 141792161
4-Ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene
CID 143587769

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene?
The IUPAC name of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene (CID 143035417) is 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene is CC1=CCCC=C1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene?
The InChIKey is ZPOXEJOEYGDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene?
2-cyclopentyloxy-3-methylcyclohexa-1,3-diene has a molecular weight of 178.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143035417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).