(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol

C17H24O — CID 12809100

IUPAC(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
SMILESC=C[C@](C)(CCC=C(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H24O/c1-5-17(4,13-9-10-14(2)3)16(18)15-11-7-6-8-12-15/h5-8,10-12,16,18H,1,9,13H2,2-4H3/t16-,17+/m0/s1
InChIKeySMPSARUDRANIES-DLBZAZTESA-N
MW244.38 g/mol
LogP4.66
Rot. Bonds6

About (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol

(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol (PubChem CID 12809100) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
PubChem CID12809100
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
SMILESC=C[C@](C)(CCC=C(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H24O/c1-5-17(4,13-9-10-14(2)3)16(18)15-11-7-6-8-12-15/h5-8,10-12,16,18H,1,9,13H2,2-4H3/t16-,17+/m0/s1
InChIKeySMPSARUDRANIES-DLBZAZTESA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol
CID 11336827
3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate;3-ethenyl-3,7-dimethyl-2-phenyloct-6-enoic acid
CID 175834333
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
(2S,4R,5R)-4-[(1S,2S)-2-ethenyl-1-hydroxy-2,6-dimethylhept-5-enyl]-2-phenyl-1,3-dioxan-5-ol
CID 102312826
(2S,4R,5R)-4-[(1S,2R)-2-ethenyl-1-hydroxy-2,6-dimethylhept-5-enyl]-2-phenyl-1,3-dioxan-5-ol
CID 102312824
3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
CID 118649482
3-ethenyl-2-ethyl-3,7-dimethyloct-6-enoic acid
CID 14910872
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
3,3-bis(3,7-dimethylocta-1,6-dien-3-yloxy)propylbenzene
CID 3020316
[[(2S,3R)-1-(benzylamino)-3-ethenyl-3,7-dimethyl-1-oxooct-6-en-2-yl]amino]-tert-butyl-oxidosulfanium
CID 164673983
(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol
CID 102254103
(E,1S,2S)-2-butyl-2-methyl-1-phenylhex-3-en-1-ol
CID 102326663

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol?
The IUPAC name of (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol (CID 12809100) is (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol.
What is the SMILES notation for (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol?
The canonical SMILES for (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol is C=C[C@](C)(CCC=C(C)C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol?
The InChIKey is SMPSARUDRANIES-DLBZAZTESA-N. The full InChI is InChI=1S/C17H24O/c1-5-17(4,13-9-10-14(2)3)16(18)15-11-7-6-8-12-15/h5-8,10-12,16,18H,1,9,13H2,2-4H3/t16-,17+/m0/s1.
What are the key properties of (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol?
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol is sourced from PubChem (CID 12809100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).