8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene

C12H18O2 — CID 101051436

IUPAC8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene
SMILESC=C(C)C1=C(COC)C2OCCCC12
InChIInChI=1S/C12H18O2/c1-8(2)11-9-5-4-6-14-12(9)10(11)7-13-3/h9,12H,1,4-7H2,2-3H3
InChIKeyNUFCCEKDWBHUJA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.31
Rot. Bonds3

About 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene

8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene (PubChem CID 101051436) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene.

Molecular Properties

Compound Name8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene
PubChem CID101051436
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene
SMILESC=C(C)C1=C(COC)C2OCCCC12
InChIInChI=1S/C12H18O2/c1-8(2)11-9-5-4-6-14-12(9)10(11)7-13-3/h9,12H,1,4-7H2,2-3H3
InChIKeyNUFCCEKDWBHUJA-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135002843
carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102473
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
Carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxane
CID 21647325
4-Methoxy-4-methyl-2-pent-2-en-2-yloxane
CID 54278231
1-Ethyl-4,5-dimethyl-6-octoxycyclohexa-1,3-diene
CID 59229332
2,7,8-Trimethyl-3,4,8,8a-tetrahydrochromen-2-ide
CID 59271484
2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene
CID 59271485

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene?
The IUPAC name of 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene (CID 101051436) is 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene.
What is the SMILES notation for 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene?
The canonical SMILES for 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene is C=C(C)C1=C(COC)C2OCCCC12.
What is the InChIKey of 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene?
The InChIKey is NUFCCEKDWBHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)11-9-5-4-6-14-12(9)10(11)7-13-3/h9,12H,1,4-7H2,2-3H3.
What are the key properties of 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene?
8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene has a molecular weight of 194.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene is sourced from PubChem (CID 101051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).