(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol

C15H24O — CID 91747235

IUPAC(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol
SMILESC=C1CC/C=C(\C)C/C=C/C(C)(C)C[C@H]1O
InChIInChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6+,12-7+/t14-/m1/s1
InChIKeyNMGJCQNNUTYSJJ-CELRUTASSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds

About (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol

(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol (PubChem CID 91747235) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol.

Molecular Properties

Compound Name(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol
PubChem CID91747235
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol
SMILESC=C1CC/C=C(\C)C/C=C/C(C)(C)C[C@H]1O
InChIInChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6+,12-7+/t14-/m1/s1
InChIKeyNMGJCQNNUTYSJJ-CELRUTASSA-N
XLogP4.01
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 ≤ 54.01
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 (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol?
The IUPAC name of (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol (CID 91747235) is (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol.
What is the SMILES notation for (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol?
The canonical SMILES for (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol is C=C1CC/C=C(\C)C/C=C/C(C)(C)C[C@H]1O.
What is the InChIKey of (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol?
The InChIKey is NMGJCQNNUTYSJJ-CELRUTASSA-N. The full InChI is InChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6+,12-7+/t14-/m1/s1.
What are the key properties of (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol?
(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol is sourced from PubChem (CID 91747235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).