(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane

C12H20O — CID 102509710

IUPAC(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
SMILESC/C=C/[C@H]1COC/C1=C\CCCC
InChIInChI=1S/C12H20O/c1-3-5-6-8-12-10-13-9-11(12)7-4-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3/b7-4+,12-8+/t11-/m0/s1
InChIKeyJOORTLHCOBZHDK-OBBYOJIOSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds4

About (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane

(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane (PubChem CID 102509710) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane.

Molecular Properties

Compound Name(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
PubChem CID102509710
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
SMILESC/C=C/[C@H]1COC/C1=C\CCCC
InChIInChI=1S/C12H20O/c1-3-5-6-8-12-10-13-9-11(12)7-4-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3/b7-4+,12-8+/t11-/m0/s1
InChIKeyJOORTLHCOBZHDK-OBBYOJIOSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
4-Methyl-2-(3-methylbuta-1,3-dienyl)oxolane
CID 86247097
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568
(3aS,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
CID 163184442
1-Allyloxy-3,7-dimethyl-octa-2,6-diene
CID 534973
Geraniol butyl ether
CID 14083497
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554

Frequently Asked Questions

What is the IUPAC name of (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane?
The IUPAC name of (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane (CID 102509710) is (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane.
What is the SMILES notation for (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane?
The canonical SMILES for (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane is C/C=C/[C@H]1COC/C1=C\CCCC.
What is the InChIKey of (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane?
The InChIKey is JOORTLHCOBZHDK-OBBYOJIOSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-6-8-12-10-13-9-11(12)7-4-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3/b7-4+,12-8+/t11-/m0/s1.
What are the key properties of (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane?
(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane has a molecular weight of 180.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane is sourced from PubChem (CID 102509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).