(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol

C15H24O2 — CID 10060040

IUPAC(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol
SMILESC=C1C/C=C/C(C)(C)C[C@@H](O)/C(C)=C\C[C@@H]1O
InChIInChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,7,9,13-14,16-17H,1,6,8,10H2,2-4H3/b9-5+,12-7-/t13-,14+/m0/s1
InChIKeyQETDLTFNRYOLAT-QULUWVCYSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds

About (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol

(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol (PubChem CID 10060040) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol.

Molecular Properties

Compound Name(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol
PubChem CID10060040
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol
SMILESC=C1C/C=C/C(C)(C)C[C@@H](O)/C(C)=C\C[C@@H]1O
InChIInChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,7,9,13-14,16-17H,1,6,8,10H2,2-4H3/b9-5+,12-7-/t13-,14+/m0/s1
InChIKeyQETDLTFNRYOLAT-QULUWVCYSA-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 (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol?
The IUPAC name of (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol (CID 10060040) is (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol.
What is the SMILES notation for (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol?
The canonical SMILES for (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol is C=C1C/C=C/C(C)(C)C[C@@H](O)/C(C)=C\C[C@@H]1O.
What is the InChIKey of (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol?
The InChIKey is QETDLTFNRYOLAT-QULUWVCYSA-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/h5,7,9,13-14,16-17H,1,6,8,10H2,2-4H3/b9-5+,12-7-/t13-,14+/m0/s1.
What are the key properties of (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol?
(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-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 (1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol is sourced from PubChem (CID 10060040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).