(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol

C18H32O5 — CID 10664061

IUPAC(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol
SMILESCC1(C)OC[C@H](/C=C/C(CCCCCO)OC2CCCCO2)O1
InChIInChI=1S/C18H32O5/c1-18(2)21-14-16(23-18)11-10-15(8-4-3-6-12-19)22-17-9-5-7-13-20-17/h10-11,15-17,19H,3-9,12-14H2,1-2H3/b11-10+/t15?,16-,17?/m0/s1
InChIKeyJLVFLZSALVPFDU-JZIMIMQNSA-N
MW328.45 g/mol
LogP3.16
Rot. Bonds9

About (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol

(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol (PubChem CID 10664061) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol.

Molecular Properties

Compound Name(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol
PubChem CID10664061
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol
SMILESCC1(C)OC[C@H](/C=C/C(CCCCCO)OC2CCCCO2)O1
InChIInChI=1S/C18H32O5/c1-18(2)21-14-16(23-18)11-10-15(8-4-3-6-12-19)22-17-9-5-7-13-20-17/h10-11,15-17,19H,3-9,12-14H2,1-2H3/b11-10+/t15?,16-,17?/m0/s1
InChIKeyJLVFLZSALVPFDU-JZIMIMQNSA-N
XLogP3.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol with MolForge

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Related Compounds

2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
CID 135037180
7-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 57099136
tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
CID 67865469
(Z)-6-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hex-4-en-1-ol
CID 15518075
[(1R,2R,2'S,3aR,6aS)-2-(oxan-2-yloxy)-1-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]spiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,3'-oxirane]-2'-yl]methanol
CID 11754832
(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol
CID 57123130
7-[(3S,4S)-8,8-dimethyl-3-[3-(oxan-2-yloxy)dec-1-enyl]-6,10-dioxaspiro[4.5]decan-4-yl]hept-4-enoic acid
CID 54308107
2-oct-1-en-3-yloxyoxane
CID 10727282
7-[(1R,2R,3R,5S)-2-[(3S)-7-methyl-3-(oxan-2-yloxy)octa-1,6-dienyl]-3,5-bis(oxan-2-yloxy)cyclopentyl]hept-5-en-1-ol
CID 57065071
(1R,3R,4R)-2-methylidene-4-(oxan-2-yloxy)-3-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
CID 57290182
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734

Frequently Asked Questions

What is the IUPAC name of (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol?
The IUPAC name of (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol (CID 10664061) is (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol.
What is the SMILES notation for (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol?
The canonical SMILES for (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol is CC1(C)OC[C@H](/C=C/C(CCCCCO)OC2CCCCO2)O1.
What is the InChIKey of (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol?
The InChIKey is JLVFLZSALVPFDU-JZIMIMQNSA-N. The full InChI is InChI=1S/C18H32O5/c1-18(2)21-14-16(23-18)11-10-15(8-4-3-6-12-19)22-17-9-5-7-13-20-17/h10-11,15-17,19H,3-9,12-14H2,1-2H3/b11-10+/t15?,16-,17?/m0/s1.
What are the key properties of (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol?
(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol has a molecular weight of 328.45 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol is sourced from PubChem (CID 10664061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).