(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'}

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Related Compounds

1,4-Dioxadispiro[4.1.57.35]pentadec-8-en-10-one
CID 85988981
4'a-prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 359242
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10933480
(1R,4aS,8aS)-1-(1,3-dioxolan-2-yl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
CID 122367676
4'a-methylspiro[1,3-dioxolane-2,7'-4,5,6,8-tetrahydro-3H-naphthalene]-2'-one
CID 134859275
7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde
CID 135044322
(4'bS)-4'b-methylspiro[1,3-dioxolane-2,7'-2,5,6,8,10,10a-hexahydro-1H-phenanthrene]-3'-one
CID 135045466
(2E,4R)-2-ethylidene-4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
CID 10680664
(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,7'-4,4a,6,8-tetrahydronaphthalene]-1'-one
CID 10754108
(4'R,4'aS)-4',4'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 11424887
(4'aR)-4'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10704259
(5S)-8,11-dioxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde
CID 58661764

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).