(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde

C20H30O2 — CID 155539510

IUPAC(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde
SMILESC/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC/C(C=O)=C/CC1
InChIInChI=1S/C20H30O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h7-8,10,14-15,19H,5-6,9,11-13H2,1-4H3/b16-8+,17-7-,18-10+/t19-,20-/m0/s1
InChIKeyPDBOIQDTYIBYOZ-OPFQSLALSA-N
MW302.46 g/mol
LogP5.15
Rot. Bonds2

About (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde

(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde (PubChem CID 155539510) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde.

Molecular Properties

Compound Name(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde
PubChem CID155539510
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde
SMILESC/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC/C(C=O)=C/CC1
InChIInChI=1S/C20H30O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h7-8,10,14-15,19H,5-6,9,11-13H2,1-4H3/b16-8+,17-7-,18-10+/t19-,20-/m0/s1
InChIKeyPDBOIQDTYIBYOZ-OPFQSLALSA-N
XLogP5.15
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde?
The IUPAC name of (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde (CID 155539510) is (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde.
What is the SMILES notation for (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde?
The canonical SMILES for (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde is C/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC/C(C=O)=C/CC1.
What is the InChIKey of (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde?
The InChIKey is PDBOIQDTYIBYOZ-OPFQSLALSA-N. The full InChI is InChI=1S/C20H30O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h7-8,10,14-15,19H,5-6,9,11-13H2,1-4H3/b16-8+,17-7-,18-10+/t19-,20-/m0/s1.
What are the key properties of (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde?
(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde has a molecular weight of 302.46 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-4-carbaldehyde is sourced from PubChem (CID 155539510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).