(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol

C16H28O — CID 70968357

IUPAC(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
SMILESC/C(CO)=C1/CCC2CCC(C)C(C)(C)C2C1
InChIInChI=1S/C16H28O/c1-11(10-17)14-8-7-13-6-5-12(2)16(3,4)15(13)9-14/h12-13,15,17H,5-10H2,1-4H3/b14-11+
InChIKeyWYZMVFLJRTUUTN-SDNWHVSQSA-N
MW236.40 g/mol
LogP4.17
Rot. Bonds1

About (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol

(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol (PubChem CID 70968357) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol.

Molecular Properties

Compound Name(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
PubChem CID70968357
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
SMILESC/C(CO)=C1/CCC2CCC(C)C(C)(C)C2C1
InChIInChI=1S/C16H28O/c1-11(10-17)14-8-7-13-6-5-12(2)16(3,4)15(13)9-14/h12-13,15,17H,5-10H2,1-4H3/b14-11+
InChIKeyWYZMVFLJRTUUTN-SDNWHVSQSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
The IUPAC name of (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol (CID 70968357) is (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol.
What is the SMILES notation for (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
The canonical SMILES for (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol is C/C(CO)=C1/CCC2CCC(C)C(C)(C)C2C1.
What is the InChIKey of (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
The InChIKey is WYZMVFLJRTUUTN-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H28O/c1-11(10-17)14-8-7-13-6-5-12(2)16(3,4)15(13)9-14/h12-13,15,17H,5-10H2,1-4H3/b14-11+.
What are the key properties of (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol is sourced from PubChem (CID 70968357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).