(1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde

C15H24O3 — CID 10243936

IUPAC(1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde
SMILESC=C1CC/C=C(/C=O)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H24O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,9-10,13-15,17-18H,3-5,7-8H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1
InChIKeyPCRVESNDQGVHLI-AZTPNKIGSA-N
MW252.35 g/mol
LogP2.24
Rot. Bonds2

About (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde

(1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde (PubChem CID 10243936) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde.

Molecular Properties

Compound Name(1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde
PubChem CID10243936
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde
SMILESC=C1CC/C=C(/C=O)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H24O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,9-10,13-15,17-18H,3-5,7-8H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1
InChIKeyPCRVESNDQGVHLI-AZTPNKIGSA-N
XLogP2.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bisacurone
CID 14287397
6-(4,5-Dihydroxy-4-methylcyclohex-2-EN-1-YL)-2-methylhept-2-EN-4-one
CID 14287395
3-Hydroxy-p-mentha-1,8-dien-7-al
CID 85247137
(3S,4S)-3-hydroxy-4-propan-2-ylcyclohexene-1-carbaldehyde
CID 9989621
Cesputularin E
CID 10062665
(3R,4E,6R,7S)-3,6-dihydroxy-4-methyl-10-methylidene-7-propan-2-ylcyclodec-4-en-1-one
CID 11368769
(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one
CID 24879120
(4E,6R,11S)-6-hydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one
CID 637449
3-Hydroxyperillaldehyde
CID 102065501
(2E,6S,7R,8R)-7,8-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-one
CID 162874854
(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde
CID 14167996
Bisacurone A
CID 14287398

Frequently Asked Questions

What is the IUPAC name of (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde?
The IUPAC name of (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde (CID 10243936) is (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde.
What is the SMILES notation for (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde?
The canonical SMILES for (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde is C=C1CC/C=C(/C=O)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde?
The InChIKey is PCRVESNDQGVHLI-AZTPNKIGSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,9-10,13-15,17-18H,3-5,7-8H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1.
What are the key properties of (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde?
(1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde has a molecular weight of 252.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecene-1-carbaldehyde is sourced from PubChem (CID 10243936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).