(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane

C10H16O2 — CID 170088260

IUPAC(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane
SMILESC=C/C(=C\C)OC[C@H]1CCOC1
InChIInChI=1S/C10H16O2/c1-3-10(4-2)12-8-9-5-6-11-7-9/h3-4,9H,1,5-8H2,2H3/b10-4+/t9-/m0/s1
InChIKeyOECUGQPSGABNBX-YNYSXPKMSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds4

About (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane

(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane (PubChem CID 170088260) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane.

Molecular Properties

Compound Name(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane
PubChem CID170088260
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane
SMILESC=C/C(=C\C)OC[C@H]1CCOC1
InChIInChI=1S/C10H16O2/c1-3-10(4-2)12-8-9-5-6-11-7-9/h3-4,9H,1,5-8H2,2H3/b10-4+/t9-/m0/s1
InChIKeyOECUGQPSGABNBX-YNYSXPKMSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
ethane;3-(methoxymethyl)oxolane
CID 143285946
3-prop-2-enyloxolane
CID 22481091
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912
5-(oxolan-3-yl)pent-1-en-3-one
CID 131226975
oxolan-3-ylmethyl 3-(ethylamino)propanoate
CID 62329002
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
diethyl(oxolan-3-ylmethoxy)alumane
CID 139905311
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70823810
3-ethyloxolane
CID 10996972

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane?
The IUPAC name of (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane (CID 170088260) is (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane.
What is the SMILES notation for (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane?
The canonical SMILES for (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane is C=C/C(=C\C)OC[C@H]1CCOC1.
What is the InChIKey of (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane?
The InChIKey is OECUGQPSGABNBX-YNYSXPKMSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(4-2)12-8-9-5-6-11-7-9/h3-4,9H,1,5-8H2,2H3/b10-4+/t9-/m0/s1.
What are the key properties of (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane?
(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane has a molecular weight of 168.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane is sourced from PubChem (CID 170088260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).