(2S,3S)-3-methyl-4-methylidenehexan-2-ol

C8H16O — CID 130747070

IUPAC(2S,3S)-3-methyl-4-methylidenehexan-2-ol
SMILESC=C(CC)[C@H](C)[C@H](C)O
InChIInChI=1S/C8H16O/c1-5-6(2)7(3)8(4)9/h7-9H,2,5H2,1,3-4H3/t7-,8-/m0/s1
InChIKeyDWYGPZKIGKTYGC-YUMQZZPRSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About (2S,3S)-3-methyl-4-methylidenehexan-2-ol

(2S,3S)-3-methyl-4-methylidenehexan-2-ol (PubChem CID 130747070) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2S,3S)-3-methyl-4-methylidenehexan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-methyl-4-methylidenehexan-2-ol
PubChem CID130747070
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2S,3S)-3-methyl-4-methylidenehexan-2-ol
SMILESC=C(CC)[C@H](C)[C@H](C)O
InChIInChI=1S/C8H16O/c1-5-6(2)7(3)8(4)9/h7-9H,2,5H2,1,3-4H3/t7-,8-/m0/s1
InChIKeyDWYGPZKIGKTYGC-YUMQZZPRSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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

5-methylideneheptane-2,4-diol
CID 140987994
2-fluoro-3-methylidenepentane
CID 89209317
3-methylidenepentane-2-thiol
CID 57045878
2-bromo-3-methylidenepentane
CID 88691030
2,4,6,7-tetramethyl-8-methylidenedecane
CID 91400797
1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
CID 123456520
3,4-dimethylidenehexan-2-ol
CID 130126331
(4R)-4-methyl-3-methylideneoctane
CID 10820618
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
1-amino-2-methylidenebutane-1-thiol
CID 155305632

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-4-methylidenehexan-2-ol?
The IUPAC name of (2S,3S)-3-methyl-4-methylidenehexan-2-ol (CID 130747070) is (2S,3S)-3-methyl-4-methylidenehexan-2-ol.
What is the SMILES notation for (2S,3S)-3-methyl-4-methylidenehexan-2-ol?
The canonical SMILES for (2S,3S)-3-methyl-4-methylidenehexan-2-ol is C=C(CC)[C@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-methyl-4-methylidenehexan-2-ol?
The InChIKey is DWYGPZKIGKTYGC-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6(2)7(3)8(4)9/h7-9H,2,5H2,1,3-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-4-methylidenehexan-2-ol?
(2S,3S)-3-methyl-4-methylidenehexan-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-4-methylidenehexan-2-ol is sourced from PubChem (CID 130747070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).