2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol

C14H24O — CID 20531512

IUPAC2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SMILESCC1CC2C(=CCCC2(C)C)CC1(C)O
InChIInChI=1S/C14H24O/c1-10-8-12-11(9-14(10,4)15)6-5-7-13(12,2)3/h6,10,12,15H,5,7-9H2,1-4H3
InChIKeyMUZQPETZSAMPOS-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds

About 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol

2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol (PubChem CID 20531512) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
PubChem CID20531512
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SMILESCC1CC2C(=CCCC2(C)C)CC1(C)O
InChIInChI=1S/C14H24O/c1-10-8-12-11(9-14(10,4)15)6-5-7-13(12,2)3/h6,10,12,15H,5,7-9H2,1-4H3
InChIKeyMUZQPETZSAMPOS-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
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 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
The IUPAC name of 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol (CID 20531512) is 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol.
What is the SMILES notation for 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
The canonical SMILES for 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol is CC1CC2C(=CCCC2(C)C)CC1(C)O.
What is the InChIKey of 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
The InChIKey is MUZQPETZSAMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-8-12-11(9-14(10,4)15)6-5-7-13(12,2)3/h6,10,12,15H,5,7-9H2,1-4H3.
What are the key properties of 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol is sourced from PubChem (CID 20531512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).