(1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol

C15H24O — CID 637473

IUPAC(1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESC=C(C)[C@H]1[C@@H]2C[C@@H](C)CC[C@H]2C(C)=C[C@H]1O
InChIInChI=1S/C15H24O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-16H,1,5-7H2,2-4H3/t10-,12-,13+,14+,15-/m0/s1
InChIKeyVSKFQHOVPUQNSE-MQFWEAQZSA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds1

About (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol

(1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol (PubChem CID 637473) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
PubChem CID637473
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESC=C(C)[C@H]1[C@@H]2C[C@@H](C)CC[C@H]2C(C)=C[C@H]1O
InChIInChI=1S/C15H24O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-16H,1,5-7H2,2-4H3/t10-,12-,13+,14+,15-/m0/s1
InChIKeyVSKFQHOVPUQNSE-MQFWEAQZSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
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 (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
The IUPAC name of (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol (CID 637473) is (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
The canonical SMILES for (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol is C=C(C)[C@H]1[C@@H]2C[C@@H](C)CC[C@H]2C(C)=C[C@H]1O.
What is the InChIKey of (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
The InChIKey is VSKFQHOVPUQNSE-MQFWEAQZSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-16H,1,5-7H2,2-4H3/t10-,12-,13+,14+,15-/m0/s1.
What are the key properties of (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
(1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4aR,7S,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 637473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).