(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol

C14H20O3 — CID 11390722

IUPAC(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol
SMILESC=C/C=C/C=C/C=C/[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H20O3/c1-4-5-6-7-8-9-10-12(15)13-11-16-14(2,3)17-13/h4-10,12-13,15H,1,11H2,2-3H3/b6-5+,8-7+,10-9+/t12-,13+/m0/s1
InChIKeyPJRXPASLTKGRBL-NLJBVMSWSA-N
MW236.31 g/mol
LogP2.35
Rot. Bonds5

About (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol

(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol (PubChem CID 11390722) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol.

Molecular Properties

Compound Name(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol
PubChem CID11390722
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol
SMILESC=C/C=C/C=C/C=C/[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H20O3/c1-4-5-6-7-8-9-10-12(15)13-11-16-14(2,3)17-13/h4-10,12-13,15H,1,11H2,2-3H3/b6-5+,8-7+,10-9+/t12-,13+/m0/s1
InChIKeyPJRXPASLTKGRBL-NLJBVMSWSA-N
XLogP2.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(3aS,4R,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
CID 10953760
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CID 10081073
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10583056
1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10419437
(3Ar,7ar)-2,2-dimethyl-1,3-benzodioxole-3a(7ah)-methanol
CID 10749936
1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10920779
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 44238498
(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol
CID 5469853
1,2-Dideoxy-4,5-O-(1-methylethylidene)pent-1-enitol
CID 13723233
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(3aR,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 10630978
(5E)-3,3-diethoxynona-1,5-dien-4-ol
CID 10704552

Frequently Asked Questions

What is the IUPAC name of (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol?
The IUPAC name of (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol (CID 11390722) is (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol.
What is the SMILES notation for (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol?
The canonical SMILES for (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol is C=C/C=C/C=C/C=C/[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol?
The InChIKey is PJRXPASLTKGRBL-NLJBVMSWSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-5-6-7-8-9-10-12(15)13-11-16-14(2,3)17-13/h4-10,12-13,15H,1,11H2,2-3H3/b6-5+,8-7+,10-9+/t12-,13+/m0/s1.
What are the key properties of (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol?
(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol is sourced from PubChem (CID 11390722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).