(1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol

C14H24O — CID 156780763

IUPAC(1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol
SMILESCC1=C[C@H](C)[C@H]2[C@H](CCC(C)(C)[C@H]2O)C1
InChIInChI=1S/C14H24O/c1-9-7-10(2)12-11(8-9)5-6-14(3,4)13(12)15/h7,10-13,15H,5-6,8H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKeyOEBIUKPSCOVDQZ-RNJOBUHISA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds

About (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol

(1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol (PubChem CID 156780763) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol
PubChem CID156780763
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol
SMILESCC1=C[C@H](C)[C@H]2[C@H](CCC(C)(C)[C@H]2O)C1
InChIInChI=1S/C14H24O/c1-9-7-10(2)12-11(8-9)5-6-14(3,4)13(12)15/h7,10-13,15H,5-6,8H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKeyOEBIUKPSCOVDQZ-RNJOBUHISA-N
XLogP3.39
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 ≤ 53.39
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 (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol?
The IUPAC name of (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol (CID 156780763) is (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol?
The canonical SMILES for (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol is CC1=C[C@H](C)[C@H]2[C@H](CCC(C)(C)[C@H]2O)C1.
What is the InChIKey of (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol?
The InChIKey is OEBIUKPSCOVDQZ-RNJOBUHISA-N. The full InChI is InChI=1S/C14H24O/c1-9-7-10(2)12-11(8-9)5-6-14(3,4)13(12)15/h7,10-13,15H,5-6,8H2,1-4H3/t10-,11+,12-,13-/m0/s1.
What are the key properties of (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol?
(1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,8S,8aR)-2,2,6,8-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-1-ol is sourced from PubChem (CID 156780763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).