(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane

C18H32O3 — CID 143238722

IUPAC(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane
SMILESCC.CC.O=CC1=CC[C@]2(CCCC3(C2)OCCO3)CC1
InChIInChI=1S/C14H20O3.2C2H6/c15-10-12-2-6-13(7-3-12)4-1-5-14(11-13)16-8-9-17-14;2*1-2/h2,10H,1,3-9,11H2;2*1-2H3/t13-;;/m1../s1
InChIKeyPIIPAURNZSQVFA-FFXKMJQXSA-N
MW296.45 g/mol
LogP4.65
Rot. Bonds1

About (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane

(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane (PubChem CID 143238722) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane.

Molecular Properties

Compound Name(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane
PubChem CID143238722
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane
SMILESCC.CC.O=CC1=CC[C@]2(CCCC3(C2)OCCO3)CC1
InChIInChI=1S/C14H20O3.2C2H6/c15-10-12-2-6-13(7-3-12)4-1-5-14(11-13)16-8-9-17-14;2*1-2/h2,10H,1,3-9,11H2;2*1-2H3/t13-;;/m1../s1
InChIKeyPIIPAURNZSQVFA-FFXKMJQXSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane?
The IUPAC name of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane (CID 143238722) is (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane.
What is the SMILES notation for (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane?
The canonical SMILES for (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane is CC.CC.O=CC1=CC[C@]2(CCCC3(C2)OCCO3)CC1.
What is the InChIKey of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane?
The InChIKey is PIIPAURNZSQVFA-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H20O3.2C2H6/c15-10-12-2-6-13(7-3-12)4-1-5-14(11-13)16-8-9-17-14;2*1-2/h2,10H,1,3-9,11H2;2*1-2H3/t13-;;/m1../s1.
What are the key properties of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane?
(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane has a molecular weight of 296.45 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-9-ene-10-carbaldehyde;ethane is sourced from PubChem (CID 143238722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).