(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde

C20H30O2 — CID 14167996

IUPAC(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde
SMILESC=C1CC[C@@H]([C@H](C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@@H]1[C@H]2O
InChIInChI=1S/C20H30O2/c1-13(2)6-5-7-14(3)17-10-8-15(4)18-11-9-16(12-21)19(17)20(18)22/h6,9,12,14,17-20,22H,4-5,7-8,10-11H2,1-3H3/t14-,17+,18+,19-,20-/m1/s1
InChIKeyFFPXYBGZJNLIRP-RBUQIHAASA-N
MW302.46 g/mol
LogP4.46
Rot. Bonds5

About (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde

(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde (PubChem CID 14167996) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde.

Molecular Properties

Compound Name(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde
PubChem CID14167996
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde
SMILESC=C1CC[C@@H]([C@H](C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@@H]1[C@H]2O
InChIInChI=1S/C20H30O2/c1-13(2)6-5-7-14(3)17-10-8-15(4)18-11-9-16(12-21)19(17)20(18)22/h6,9,12,14,17-20,22H,4-5,7-8,10-11H2,1-3H3/t14-,17+,18+,19-,20-/m1/s1
InChIKeyFFPXYBGZJNLIRP-RBUQIHAASA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde?
The IUPAC name of (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) is (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde.
What is the SMILES notation for (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde?
The canonical SMILES for (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde is C=C1CC[C@@H]([C@H](C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@@H]1[C@H]2O.
What is the InChIKey of (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde?
The InChIKey is FFPXYBGZJNLIRP-RBUQIHAASA-N. The full InChI is InChI=1S/C20H30O2/c1-13(2)6-5-7-14(3)17-10-8-15(4)18-11-9-16(12-21)19(17)20(18)22/h6,9,12,14,17-20,22H,4-5,7-8,10-11H2,1-3H3/t14-,17+,18+,19-,20-/m1/s1.
What are the key properties of (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde?
(1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde has a molecular weight of 302.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S,10R)-10-hydroxy-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde is sourced from PubChem (CID 14167996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).