(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol

C15H24O2 — CID 15624790

IUPAC(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol
SMILESC=C1C/C=C/C(C)(C)C[C@H](O)C(=C)CC[C@H]1O
InChIInChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,9,13-14,16-17H,1-2,6-8,10H2,3-4H3/b9-5+/t13-,14+/m1/s1
InChIKeyLWOKOFIEKUJQMC-JEELVDDXSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds

About (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol

(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol (PubChem CID 15624790) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol.

Molecular Properties

Compound Name(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol
PubChem CID15624790
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol
SMILESC=C1C/C=C/C(C)(C)C[C@H](O)C(=C)CC[C@H]1O
InChIInChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,9,13-14,16-17H,1-2,6-8,10H2,3-4H3/b9-5+/t13-,14+/m1/s1
InChIKeyLWOKOFIEKUJQMC-JEELVDDXSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol?
The IUPAC name of (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol (CID 15624790) is (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol.
What is the SMILES notation for (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol?
The canonical SMILES for (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol is C=C1C/C=C/C(C)(C)C[C@H](O)C(=C)CC[C@H]1O.
What is the InChIKey of (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol?
The InChIKey is LWOKOFIEKUJQMC-JEELVDDXSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,9,13-14,16-17H,1-2,6-8,10H2,3-4H3/b9-5+/t13-,14+/m1/s1.
What are the key properties of (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol?
(1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol has a molecular weight of 236.35 g/mol, XLogP of 2.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8E)-10,10-dimethyl-2,6-dimethylidenecycloundec-8-ene-1,5-diol is sourced from PubChem (CID 15624790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).