(3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol

C16H30O — CID 10060138

IUPAC(3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol
SMILESC=C[C@@H](C)[C@](O)(/C=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-10-12(2)16(17,15(7,8)9)11-13(3)14(4,5)6/h10-12,17H,1H2,2-9H3/b13-11+/t12-,16-/m1/s1
InChIKeyXARBSZUOQOILGU-LXEKJOJESA-N
MW238.41 g/mol
LogP4.58
Rot. Bonds3

About (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol

(3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol (PubChem CID 10060138) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol.

Molecular Properties

Compound Name(3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol
PubChem CID10060138
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol
SMILESC=C[C@@H](C)[C@](O)(/C=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-10-12(2)16(17,15(7,8)9)11-13(3)14(4,5)6/h10-12,17H,1H2,2-9H3/b13-11+/t12-,16-/m1/s1
InChIKeyXARBSZUOQOILGU-LXEKJOJESA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.58
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

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(Z)-2,2,3,5,5-pentamethylhex-3-ene
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N-(2,3-dimethylpent-4-en-2-yl)acetamide
CID 143357201
(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol
CID 10374826
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CID 13026554
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
2,2,3,5,5-pentamethylhex-3-ene;2,2,5,5-tetramethylhexane
CID 162279415
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine
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2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol?
The IUPAC name of (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol (CID 10060138) is (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol.
What is the SMILES notation for (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol?
The canonical SMILES for (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol is C=C[C@@H](C)[C@](O)(/C=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol?
The InChIKey is XARBSZUOQOILGU-LXEKJOJESA-N. The full InChI is InChI=1S/C16H30O/c1-10-12(2)16(17,15(7,8)9)11-13(3)14(4,5)6/h10-12,17H,1H2,2-9H3/b13-11+/t12-,16-/m1/s1.
What are the key properties of (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol?
(3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol has a molecular weight of 238.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5E)-4-tert-butyl-3,6,7,7-tetramethylocta-1,5-dien-4-ol is sourced from PubChem (CID 10060138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).