(3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol

C14H24O — CID 11637075

IUPAC(3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol
SMILESCC1=CC(C)(C)[C@@H]2CC[C@@H](C)C[C@@]2(O)C1
InChIInChI=1S/C14H24O/c1-10-5-6-12-13(3,4)7-11(2)9-14(12,15)8-10/h7,10,12,15H,5-6,8-9H2,1-4H3/t10-,12+,14-/m1/s1
InChIKeyHMYBVTUNMSIDLU-SCDSUCTJSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds

About (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol

(3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol (PubChem CID 11637075) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol.

Molecular Properties

Compound Name(3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol
PubChem CID11637075
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol
SMILESCC1=CC(C)(C)[C@@H]2CC[C@@H](C)C[C@@]2(O)C1
InChIInChI=1S/C14H24O/c1-10-5-6-12-13(3,4)7-11(2)9-14(12,15)8-10/h7,10,12,15H,5-6,8-9H2,1-4H3/t10-,12+,14-/m1/s1
InChIKeyHMYBVTUNMSIDLU-SCDSUCTJSA-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 (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol?
The IUPAC name of (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol (CID 11637075) is (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol.
What is the SMILES notation for (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol?
The canonical SMILES for (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol is CC1=CC(C)(C)[C@@H]2CC[C@@H](C)C[C@@]2(O)C1.
What is the InChIKey of (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol?
The InChIKey is HMYBVTUNMSIDLU-SCDSUCTJSA-N. The full InChI is InChI=1S/C14H24O/c1-10-5-6-12-13(3,4)7-11(2)9-14(12,15)8-10/h7,10,12,15H,5-6,8-9H2,1-4H3/t10-,12+,14-/m1/s1.
What are the key properties of (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol?
(3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-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 (3R,4aR,8aS)-3,6,8,8-tetramethyl-1,2,3,4,5,8a-hexahydronaphthalen-4a-ol is sourced from PubChem (CID 11637075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).