(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol

C17H30O — CID 67421216

IUPAC(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
SMILESCCC1CCC2CC/C(=C(/C)CO)CC2C1(C)C
InChIInChI=1S/C17H30O/c1-5-15-9-8-13-6-7-14(12(2)11-18)10-16(13)17(15,3)4/h13,15-16,18H,5-11H2,1-4H3/b14-12+
InChIKeyLLDVHHOTXPJBRW-WYMLVPIESA-N
MW250.43 g/mol
LogP4.56
Rot. Bonds2

About (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol

(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol (PubChem CID 67421216) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol.

Molecular Properties

Compound Name(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
PubChem CID67421216
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
SMILESCCC1CCC2CC/C(=C(/C)CO)CC2C1(C)C
InChIInChI=1S/C17H30O/c1-5-15-9-8-13-6-7-14(12(2)11-18)10-16(13)17(15,3)4/h13,15-16,18H,5-11H2,1-4H3/b14-12+
InChIKeyLLDVHHOTXPJBRW-WYMLVPIESA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.56
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 (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
The IUPAC name of (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol (CID 67421216) is (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol.
What is the SMILES notation for (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
The canonical SMILES for (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol is CCC1CCC2CC/C(=C(/C)CO)CC2C1(C)C.
What is the InChIKey of (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
The InChIKey is LLDVHHOTXPJBRW-WYMLVPIESA-N. The full InChI is InChI=1S/C17H30O/c1-5-15-9-8-13-6-7-14(12(2)11-18)10-16(13)17(15,3)4/h13,15-16,18H,5-11H2,1-4H3/b14-12+.
What are the key properties of (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol?
(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol is sourced from PubChem (CID 67421216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).