(1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol

C15H24O — CID 122177430

IUPAC(1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol
SMILESC=C1CC/C=C(\C)[C@H](O)CC(C)(C)[C@H]2C[C@H]12
InChIInChI=1S/C15H24O/c1-10-6-5-7-11(2)14(16)9-15(3,4)13-8-12(10)13/h7,12-14,16H,1,5-6,8-9H2,2-4H3/b11-7+/t12-,13+,14-/m1/s1
InChIKeyOAGCICGOMKMMKK-ZISRIWIASA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds

About (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol

(1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol (PubChem CID 122177430) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol.

Molecular Properties

Compound Name(1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol
PubChem CID122177430
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol
SMILESC=C1CC/C=C(\C)[C@H](O)CC(C)(C)[C@H]2C[C@H]12
InChIInChI=1S/C15H24O/c1-10-6-5-7-11(2)14(16)9-15(3,4)13-8-12(10)13/h7,12-14,16H,1,5-6,8-9H2,2-4H3/b11-7+/t12-,13+,14-/m1/s1
InChIKeyOAGCICGOMKMMKK-ZISRIWIASA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol?
The IUPAC name of (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol (CID 122177430) is (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol.
What is the SMILES notation for (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol?
The canonical SMILES for (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol is C=C1CC/C=C(\C)[C@H](O)CC(C)(C)[C@H]2C[C@H]12.
What is the InChIKey of (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol?
The InChIKey is OAGCICGOMKMMKK-ZISRIWIASA-N. The full InChI is InChI=1S/C15H24O/c1-10-6-5-7-11(2)14(16)9-15(3,4)13-8-12(10)13/h7,12-14,16H,1,5-6,8-9H2,2-4H3/b11-7+/t12-,13+,14-/m1/s1.
What are the key properties of (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol?
(1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5E,10S)-2,2,5-trimethyl-9-methylidenebicyclo[8.1.0]undec-5-en-4-ol is sourced from PubChem (CID 122177430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).