2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol

C15H24O2 — CID 162800944

IUPAC2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol
SMILESCC1=C2CC(=C(CO)CO)CCC2(C)CCC1
InChIInChI=1S/C15H24O2/c1-11-4-3-6-15(2)7-5-12(8-14(11)15)13(9-16)10-17/h16-17H,3-10H2,1-2H3
InChIKeyPRRZCMHQUNHRIB-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.96
Rot. Bonds2

About 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol

2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol (PubChem CID 162800944) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol.

Molecular Properties

Compound Name2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol
PubChem CID162800944
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol
SMILESCC1=C2CC(=C(CO)CO)CCC2(C)CCC1
InChIInChI=1S/C15H24O2/c1-11-4-3-6-15(2)7-5-12(8-14(11)15)13(9-16)10-17/h16-17H,3-10H2,1-2H3
InChIKeyPRRZCMHQUNHRIB-UHFFFAOYSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.96
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 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol?
The IUPAC name of 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol (CID 162800944) is 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol.
What is the SMILES notation for 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol?
The canonical SMILES for 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol is CC1=C2CC(=C(CO)CO)CCC2(C)CCC1.
What is the InChIKey of 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol?
The InChIKey is PRRZCMHQUNHRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-4-3-6-15(2)7-5-12(8-14(11)15)13(9-16)10-17/h16-17H,3-10H2,1-2H3.
What are the key properties of 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol?
2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol has a molecular weight of 236.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8-dimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene)propane-1,3-diol is sourced from PubChem (CID 162800944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).